Product Name

  • Name

    4,5,6-Triaminopyrimidine sulfate

  • EINECS 256-446-3
  • CAS No. 49721-45-1
  • Article Data1
  • CAS DataBase
  • Density 1.512g/cm3
  • Solubility
  • Melting Point >300 °C(lit.)
  • Formula C4H9N5O4S
  • Boiling Point 406.2ºC at 760mmHg
  • Molecular Weight 223.213
  • Flash Point 228.5ºC
  • Transport Information
  • Appearance
  • Safety 26
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 49721-45-1 (4,5,6-Triaminopyrimidine sulfate)
  • Hazard Symbols IrritantXi
  • Synonyms Pyrimidine-4,5,6-triamine sulphate (1:1);
  • PSA 186.82000
  • LogP 1.39480

Synthetic route

4,6-diamino-5-nitrosylpyrimidine
61908-15-4

4,6-diamino-5-nitrosylpyrimidine

4,5,6-triaminopyrimidine sulfate
49721-45-1

4,5,6-triaminopyrimidine sulfate

Conditions
ConditionsYield
With sodium dithionite; sulfuric acid In water at 20 - 80℃;
carbon disulfide
75-15-0

carbon disulfide

4,5,6-triaminopyrimidine sulfate
49721-45-1

4,5,6-triaminopyrimidine sulfate

8-mercaptoadenine
7390-62-7

8-mercaptoadenine

Conditions
ConditionsYield
With water; sodium hydrogencarbonate In ethanol for 72h; Reflux; Inert atmosphere;100%
With sodium hydrogencarbonate In ethanol; water for 3h; Reflux;58%
With sodium hydrogencarbonate In ethanol for 72h; Heating;
(4-hydroxylphenyl)glyoxal
24645-80-5

(4-hydroxylphenyl)glyoxal

4,5,6-triaminopyrimidine sulfate
49721-45-1

4,5,6-triaminopyrimidine sulfate

4-(4-amino-pteridin-7-yl)-phenol
677297-48-2

4-(4-amino-pteridin-7-yl)-phenol

Conditions
ConditionsYield
With sodium hydroxide In methanol; water100%
4,5,6-triaminopyrimidine sulfate
49721-45-1

4,5,6-triaminopyrimidine sulfate

4,5,6-triaminopyrimidine
118-70-7

4,5,6-triaminopyrimidine

Conditions
ConditionsYield
Stage #1: 4,5,6-triaminopyrimidine sulfate With sodium hydroxide; water at 80℃;
Stage #2: With hydrogenchloride; water at 0 - 5℃; pH=7.0;		99%
With sodium hydroxide In water at 80℃;3.69 g
bis(3-hydroxyphenyl)ethane-1,2-dione
63192-57-4

bis(3-hydroxyphenyl)ethane-1,2-dione

4,5,6-triaminopyrimidine sulfate
49721-45-1

4,5,6-triaminopyrimidine sulfate

6,7-bis(3-hydroxyphenyl)-pteridine-4-ylamine

6,7-bis(3-hydroxyphenyl)-pteridine-4-ylamine

Conditions
ConditionsYield
With sodium hydrogencarbonate In diethyl ether; water94.8%
benzpyrene-6-carbaldehyde
13312-42-0

benzpyrene-6-carbaldehyde

4,5,6-triaminopyrimidine sulfate
49721-45-1

4,5,6-triaminopyrimidine sulfate

8-(6-benzo[a]pyrenyl)adenine

8-(6-benzo[a]pyrenyl)adenine

Conditions
ConditionsYield
With air In dimethyl sulfoxide at 90℃; for 2h;88%
acetamide
60-35-5

acetamide

4,5,6-triaminopyrimidine sulfate
49721-45-1

4,5,6-triaminopyrimidine sulfate

8-methyl-9H-purin-6-ylamine
22387-37-7

8-methyl-9H-purin-6-ylamine

Conditions
ConditionsYield
at 230℃; for 6h;82%
at 240℃; for 6h;11%
4,5,6-triaminopyrimidine sulfate
49721-45-1

4,5,6-triaminopyrimidine sulfate

4-chlorobenzoyl chloride
586-75-4

4-chlorobenzoyl chloride

4,6-diamino-5-<(4-bromobenzoyl)amino>pyrimidine
77071-06-8

4,6-diamino-5-<(4-bromobenzoyl)amino>pyrimidine

Conditions
ConditionsYield
With sodium hydroxide for 1h;75%
7-methylbenzanthracene carboxaldehyde
7505-62-6

7-methylbenzanthracene carboxaldehyde

4,5,6-triaminopyrimidine sulfate
49721-45-1

4,5,6-triaminopyrimidine sulfate

8-(7-benz[a]anthracenyl)adenine

8-(7-benz[a]anthracenyl)adenine

Conditions
ConditionsYield
With air In dimethyl sulfoxide at 90℃; for 2h;75%
dibenzo[def,p]chrysene-10-carboxaldehyde
2869-59-2

dibenzo[def,p]chrysene-10-carboxaldehyde

4,5,6-triaminopyrimidine sulfate
49721-45-1

4,5,6-triaminopyrimidine sulfate

8-(10-dibenzo[def,p]chrysenyl)adenine

8-(10-dibenzo[def,p]chrysenyl)adenine

Conditions
ConditionsYield
With air In dimethyl sulfoxide at 90℃; for 2h;75%
ethyl 2-ethoxy-2-iminoacetate
816-27-3

ethyl 2-ethoxy-2-iminoacetate

4,5,6-triaminopyrimidine sulfate
49721-45-1

4,5,6-triaminopyrimidine sulfate

4,6-Diamino-8H-pteridin-7-one

4,6-Diamino-8H-pteridin-7-one

Conditions
ConditionsYield
In ethanol for 2h; Heating;71%
pyrene-1-aldehyde
3029-19-4

pyrene-1-aldehyde

4,5,6-triaminopyrimidine sulfate
49721-45-1

4,5,6-triaminopyrimidine sulfate

8-(1-pyrenyl)adenine

8-(1-pyrenyl)adenine

Conditions
ConditionsYield
With air In dimethyl sulfoxide at 90℃;68%
4,5,6-triaminopyrimidine sulfate
49721-45-1

4,5,6-triaminopyrimidine sulfate

9-anthracene aldehyde
642-31-9

9-anthracene aldehyde

8-(9-anthracenyl)adenine

8-(9-anthracenyl)adenine

Conditions
ConditionsYield
With air In dimethyl sulfoxide at 90℃;64%
(13C)-formic acid
1633-56-3

(13C)-formic acid

4,5,6-triaminopyrimidine sulfate
49721-45-1

4,5,6-triaminopyrimidine sulfate

<8-13C>adenine
86967-48-8

<8-13C>adenine

Conditions
ConditionsYield
With morpholine at 0 - 200℃; for 3h;64%
carbon disulfide
75-15-0

carbon disulfide

4,5,6-triaminopyrimidine sulfate
49721-45-1

4,5,6-triaminopyrimidine sulfate

6-amino-7,9-dihydro-8H-purine-8-thione
7390-62-7

6-amino-7,9-dihydro-8H-purine-8-thione

Conditions
ConditionsYield
With sodium hydrogencarbonate In ethanol; water at 80℃; for 48h;56%
2-Picolinic acid
98-98-6

2-Picolinic acid

4,5,6-triaminopyrimidine sulfate
49721-45-1

4,5,6-triaminopyrimidine sulfate

8-(2-pyridin-2-yl)adenine
127820-09-1

8-(2-pyridin-2-yl)adenine

Conditions
ConditionsYield
at 150℃;51%
4,5,6-triaminopyrimidine sulfate
49721-45-1

4,5,6-triaminopyrimidine sulfate

hexanoic acid
142-62-1

hexanoic acid

8-n-pentyladenine
127820-07-9

8-n-pentyladenine

Conditions
ConditionsYield
With PPA at 150℃; for 2.5h;42%
1-naphthalenecarboxylic acid
86-55-5

1-naphthalenecarboxylic acid

4,5,6-triaminopyrimidine sulfate
49721-45-1

4,5,6-triaminopyrimidine sulfate

8-(1-naphthyl)adenine
127820-10-4

8-(1-naphthyl)adenine

Conditions
ConditionsYield
at 150℃;33%
4,5,6-triaminopyrimidine sulfate
49721-45-1

4,5,6-triaminopyrimidine sulfate

1-hexadecylcarboxylic acid
57-10-3

1-hexadecylcarboxylic acid

8-Pentadecyl-9H-purin-6-ylamine
127820-08-0

8-Pentadecyl-9H-purin-6-ylamine

Conditions
ConditionsYield
at 150℃;33%
2-bromo-1-(3-trifluoromethylpyridin-2-yl)ethanone hydrobromide
832692-71-4

2-bromo-1-(3-trifluoromethylpyridin-2-yl)ethanone hydrobromide

4,5,6-triaminopyrimidine sulfate
49721-45-1

4,5,6-triaminopyrimidine sulfate

7-(3-trifluoromethylpyridin-2-yl)pteridin-4-ylamine
1220632-19-8

7-(3-trifluoromethylpyridin-2-yl)pteridin-4-ylamine

Conditions
ConditionsYield
Stage #1: 4,5,6-triaminopyrimidine sulfate With barium chloride monohydrate In water at 80℃; for 4h;
Stage #2: 2-bromo-1-(3-trifluoromethylpyridin-2-yl)ethanone hydrobromide With sodium hydrogencarbonate In 1,4-dioxane; water at 20 - 100℃;		23%
4,5,6-triaminopyrimidine sulfate
49721-45-1

4,5,6-triaminopyrimidine sulfate

4-isothiocyanato-4-methylpentan-2-one
27248-25-5

4-isothiocyanato-4-methylpentan-2-one

4',6'-diamino-6-hydroxy-4,4,6-trimethyl-3,4,5,6-tetrahydro-[1,5']bipyrimidinyl-2-thione

4',6'-diamino-6-hydroxy-4,4,6-trimethyl-3,4,5,6-tetrahydro-[1,5']bipyrimidinyl-2-thione

Conditions
ConditionsYield
In methanol at 20℃; for 120h;20%
4-isobutoxy-3-nitrobenzoyl chloride
528607-87-6

4-isobutoxy-3-nitrobenzoyl chloride

4,5,6-triaminopyrimidine sulfate
49721-45-1

4,5,6-triaminopyrimidine sulfate

4,6-Diamino-5-(4-isobutoxy-3-nitrobenzoyl)aminopyridine

4,6-Diamino-5-(4-isobutoxy-3-nitrobenzoyl)aminopyridine

Conditions
ConditionsYield
With sodium hydroxide In 1,4-dioxane; water at 0℃; for 4h;20%
4,5,6-triaminopyrimidine sulfate
49721-45-1

4,5,6-triaminopyrimidine sulfate

Trimethylacetic acid
75-98-9

Trimethylacetic acid

8-tert-butyl-7(9)H-purin-6-ylamine
50609-20-6

8-tert-butyl-7(9)H-purin-6-ylamine

Conditions
ConditionsYield
at 150℃;16%
4,5,6-triaminopyrimidine sulfate
49721-45-1

4,5,6-triaminopyrimidine sulfate

naphthalene-2-carboxylate
93-09-4

naphthalene-2-carboxylate

8-Naphthalen-2-yl-9H-purin-6-ylamine
127820-11-5

8-Naphthalen-2-yl-9H-purin-6-ylamine

Conditions
ConditionsYield
at 150℃;10%
heptafluorobutyramide
662-50-0

heptafluorobutyramide

4,5,6-triaminopyrimidine sulfate
49721-45-1

4,5,6-triaminopyrimidine sulfate

8-(heptafluoropropyl)adenine

8-(heptafluoropropyl)adenine

Conditions
ConditionsYield
at 200 - 210℃; for 5h;7.3%
formic acid
64-18-6

formic acid

4,5,6-triaminopyrimidine sulfate
49721-45-1

4,5,6-triaminopyrimidine sulfate

N-(4,6-diaminopyrimidin-5-yl)formamide
5122-36-1

N-(4,6-diaminopyrimidin-5-yl)formamide

Conditions
ConditionsYield
With water
4,5,6-triaminopyrimidine sulfate
49721-45-1

4,5,6-triaminopyrimidine sulfate

formamide
77287-34-4, 77287-35-5, 60100-09-6

formamide

7H-purin-6-ylamine
73-24-5

7H-purin-6-ylamine

4,5,6-triaminopyrimidine sulfate
49721-45-1

4,5,6-triaminopyrimidine sulfate

furil
492-94-4

furil

6,7-di-furan-2-yl-pteridin-4-ylamine
30146-31-7

6,7-di-furan-2-yl-pteridin-4-ylamine

Conditions
ConditionsYield
(i) BaCl2, H2O, (ii) /BRN= 383882/, dioxane; Multistep reaction;
ethyl 2-ethoxyglycolate
49653-17-0

ethyl 2-ethoxyglycolate

4,5,6-triaminopyrimidine sulfate
49721-45-1

4,5,6-triaminopyrimidine sulfate

4-amino-7(8H)-pteridone
22005-66-9

4-amino-7(8H)-pteridone

Conditions
ConditionsYield
With sodium 1) methanole, 15 min, room temperature, 2) 12 h, room temperature; Yield given. Multistep reaction;
4,5,6-triaminopyrimidine sulfate
49721-45-1

4,5,6-triaminopyrimidine sulfate

benzoyl chloride
98-88-4

benzoyl chloride

N-(4,6-diamino-pyrimidin-5-yl)-benzamide
3298-83-7

N-(4,6-diamino-pyrimidin-5-yl)-benzamide

Conditions
ConditionsYield
In sodium hydroxide for 1h;
4,5,6-triaminopyrimidine sulfate
49721-45-1

4,5,6-triaminopyrimidine sulfate

4-methyl-benzoyl chloride
874-60-2

4-methyl-benzoyl chloride

N-(4,6-Diamino-pyrimidin-5-yl)-4-methyl-benzamide

N-(4,6-Diamino-pyrimidin-5-yl)-4-methyl-benzamide

Conditions
ConditionsYield
In sodium hydroxide for 1h;

4,5,6-Triaminopyrimidine sulfate Specification

The 4,5,6-Pyrimidinetriamine, sulfate (1:1), with the CAS registry number 49721-45-1 and EINECS registry number 256-446-3, has the systematic name of pyrimidine-4,5,6-triamine sulfate (1:1). It belongs to the following product categories: Building Blocks; Heterocyclic Building Blocks; Pyrimidines; Biochemicals and Reagents; Nucleoside Analogs; Nucleosides, Nucleotides, Oligonucleotides. And the molecular formula of the chemical is C4H9N5O4S.

The characteristics of 4,5,6-Pyrimidinetriamine, sulfate (1:1) are as followings: (1)ACD/LogP: -0.61; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -0.96; (4)ACD/LogD (pH 7.4): -0.62; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.91; (8)ACD/KOC (pH 7.4): 10.89; (9)#H bond acceptors: 5; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 35.5 Å2; (13)Flash Point: 228.5 °C; (14)Enthalpy of Vaporization: 65.79 kJ/mol; (15)Boiling Point: 406.2 °C at 760 mmHg; (16)Vapour Pressure: 8.28E-07 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: If in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=S(=O)(O)O.n1c(N)c(N)c(nc1)N
(2)InChI: InChI=1/C4H7N5.H2O4S/c5-2-3(6)8-1-9-4(2)7;1-5(2,3)4/h1H,5H2,(H4,6,7,8,9);(H2,1,2,3,4)
(3)InChIKey: RKJICTKHLYLPLY-UHFFFAOYAD

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