4,5-Diamino-6-mercaptopyrimidine supplier

Name
4,5-DIAMINO-6-MERCAPTOPYRIMIDINE
EINECS 220-644-8
CAS No. 2846-89-1
Article Data9
CAS DataBase
Density 1.78g/cm³
Solubility
Melting Point 257 °C (decomp)
Formula C₄H₆N₄S
Boiling Point 229.3 °C at 760 mmHg
Molecular Weight 142.184
Flash Point 92.5 °C
Transport Information
Appearance
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4(1H)-Pyrimidinethione,5,6-diamino- (9CI);4-Pyrimidinethiol, 5,6-diamino- (6CI,7CI,8CI);4,5-Diamino-6-mercaptopyrimidine;4,5-Diaminopyrimidine-6(1H)-thione;5,6-Diamino-4(3H)-pyrimidinethione;5,6-Diamino-4-pyrimidinethiol;NSC 30021;
PSA 116.62000
LogP 1.09210

Synthetic route

: 1672-50-0
4,5-diamino-6-hydroxypyrimidine

: 2846-89-1
4,5-Diamino-6-mercaptopyrimidine

Conditions

Conditions	Yield
With Lawessons reagent	43%

: 14237-71-9
2-chloro-4,6-dimethylnicotinonitrile

: 2846-89-1
4,5-Diamino-6-mercaptopyrimidine

: 2-(5,6-diamino-pyrimidin-4-ylsulfanyl)-4,6-dimethyl-nicotinonitrile

Conditions

Conditions	Yield
With sodium hydroxide In methanol for 20h; Heating;	96%

: 2846-89-1
4,5-Diamino-6-mercaptopyrimidine

: 6361-21-3
2-chloro-5-nitrobenzaldehyde

: 4-amino-8-nitropyrimido[4,5-b]-1,4-benzothiazepine

Conditions

Conditions	Yield
With sodium hydroxide In methanol at 60 - 65℃;	93%

: 16588-02-6
4-chloro-3-cyanonitrobenzene

: 2846-89-1
4,5-Diamino-6-mercaptopyrimidine

: 2-(5,6-diamino-pyrimidin-4-ylsulfanyl)-5-nitro-benzonitrile

Conditions

Conditions	Yield
With sodium hydroxide In methanol at 60 - 65℃; for 1h;	82%

: 2846-89-1
4,5-Diamino-6-mercaptopyrimidine

: 1203-25-4
6-chloro-1,3-dimethyl-5-nitrouracil

: 96090-27-6
4-Amino-5,7-dimethyl-10,10a-dihydro-5H,8aH-9-thia-1,3,5,7,10-pentaaza-anthracene-6,8-dione

Conditions

Conditions	Yield
	78%

: 102689-02-1
2-Bromo-3-isopropylamino-5,5-dimethyl-cyclohex-2-enone

: 2846-89-1
4,5-Diamino-6-mercaptopyrimidine

: N8-Isopropyl-6,6-dimethyl-6,10-dihydro-7H-9-thia-1,3,10-triaza-anthracene-4,8-diamine; hydrobromide

Conditions

Conditions	Yield
	70%

: 2846-89-1
4,5-Diamino-6-mercaptopyrimidine

: 57-13-6
urea

: C5H4N4OS

Conditions

Conditions	Yield
Heating;	65%

: 102688-96-0
2-Bromo-3-butylamino-5,5-dimethyl-cyclohex-2-enone

: 2846-89-1
4,5-Diamino-6-mercaptopyrimidine

: N8-Butyl-6,6-dimethyl-6,10-dihydro-7H-9-thia-1,3,10-triaza-anthracene-4,8-diamine; hydrobromide

Conditions

Conditions	Yield
	63%

: 51924-68-6
3-Amino-2-bromo-5,5-dimethyl-cyclohex-2-enone

: 2846-89-1
4,5-Diamino-6-mercaptopyrimidine

: 4,9-Diamino-7,7-dimethyl-7,8-dihydro-1,3-diazaphenothiazine hydrobromide

Conditions

Conditions	Yield
	62.5%

: 51924-66-4
3-Benzylamino-2-bromo-5,5-dimethyl-2-cyclohexen-1-one

: 2846-89-1
4,5-Diamino-6-mercaptopyrimidine

: N8-Benzyl-6,6-dimethyl-6,10-dihydro-7H-9-thia-1,3,10-triaza-anthracene-4,8-diamine; hydrobromide

Conditions

Conditions	Yield
	62%

: 2846-89-1
4,5-Diamino-6-mercaptopyrimidine

: 82-86-0
acenaphthene quinone

: 78241-70-0
6,7-acenaphtheno-4-thiopteridine

Conditions

Conditions	Yield
In acetic acid for 2h; Heating;	62%

: 102688-99-3
2-Bromo-3-heptylamino-5,5-dimethyl-cyclohex-2-enone

: 2846-89-1
4,5-Diamino-6-mercaptopyrimidine

: N8-Heptyl-6,6-dimethyl-6,10-dihydro-7H-9-thia-1,3,10-triaza-anthracene-4,8-diamine; hydrobromide

Conditions

Conditions	Yield
	58%

: 2846-89-1
4,5-Diamino-6-mercaptopyrimidine

: 84-11-7
9,10-phenanthrenequinone

: 78241-69-7
6,7-phenanthreno-4-thiopteridine

Conditions

Conditions	Yield
In acetic acid for 2h; Heating;	56%

: 102688-98-2
2-Bromo-3-hexylamino-5,5-dimethyl-cyclohex-2-enone

: 2846-89-1
4,5-Diamino-6-mercaptopyrimidine

: N8-Hexyl-6,6-dimethyl-6,10-dihydro-7H-9-thia-1,3,10-triaza-anthracene-4,8-diamine; hydrobromide

Conditions

Conditions	Yield
	54%

: 2846-89-1
4,5-Diamino-6-mercaptopyrimidine

: 1203-25-4
6-chloro-1,3-dimethyl-5-nitrouracil

A: 4-Amino-6,8-dimethyl-7,9-dioxo-9a-hydroxy-6,7,8,9-tetrahydrodipyrimido<4.5-b><4'.5'-e><1,4>thiazine

B: 123625-47-8
4-Amino-6,8-dimethyl-7,9-dioxo-6,7,8,9-tetrahydrodipyrimido<4.5-b><4'.5'-e><1,4>thiazinyl

Conditions

Conditions	Yield
With dihydrogen peroxide; triethylamine In methanol at 20℃; for 0.5h;	A 30% B 42%
With triethylamine In methanol at 20℃; for 0.5h;	A 30% B 42%

...Expand

: 1452-15-9
thiazole-4-carbonitrile

: 2846-89-1
4,5-Diamino-6-mercaptopyrimidine

: 65911-27-5
8-thiazol-4-yl-1,7(9)-dihydro-purine-6-thione

Conditions

Conditions	Yield
With PPA at 180 - 210℃;

: 108-24-7
acetic anhydride

: 2846-89-1
4,5-Diamino-6-mercaptopyrimidine

: 108129-04-0
N-(2-methyl-thiazolo[5,4-d]pyrimidin-7-yl)-acetamide

: 107-14-2
chloroacetonitrile

: 2846-89-1
4,5-Diamino-6-mercaptopyrimidine

: 55383-58-9
7H-pyrimido[4,5-b][1,4]thiazine-4,6-diamine

: 222851-56-1
N-phenylsulfinylamine

: 2846-89-1
4,5-Diamino-6-mercaptopyrimidine

: 6306-88-3
phenyl-[1,2,5]thiadiazolo[3,4-d]pyrimidin-7-yl-amine

Conditions

Conditions	Yield
With pyridine

: 79-11-8
chloroacetic acid

: 2846-89-1
4,5-Diamino-6-mercaptopyrimidine

: 120267-09-6
4-amino-5H-pyrimido[4,5-b][1,4]thiazin-6-one

: 2846-89-1
4,5-Diamino-6-mercaptopyrimidine

: 21323-67-1
[1,2,3]thiadiazolo[5,4-d]pyrimidin-7-ylamine

Conditions

Conditions	Yield
With sulfuric acid; sodium nitrite

: 2846-89-1
4,5-Diamino-6-mercaptopyrimidine

: 89797-62-6
6H-[1,2,5]thiadiazolo[3,4-d]pyrimidine-7-thione

Conditions

Conditions	Yield
With pyridine; N-phenylsulfinylamine

: 2846-89-1
4,5-Diamino-6-mercaptopyrimidine

: (6R,7R)-3-((E)-3-Iodo-propenyl)-7-{2-[(Z)-methoxyimino]-2-[2-(trityl-amino)-thiazol-4-yl]-acetylamino}-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid 4-methoxy-benzyl ester

: (6R,7R)-3-[(E)-3-(5,6-Diamino-pyrimidin-4-ylsulfanyl)-propenyl]-7-{2-[(Z)-methoxyimino]-2-[2-(trityl-amino)-thiazol-4-yl]-acetylamino}-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid 4-methoxy-benzyl ester

Conditions

Conditions	Yield
In N,N-dimethyl-formamide

: 2846-89-1
4,5-Diamino-6-mercaptopyrimidine

: (6R,7R)-3-((E)-3-Iodo-propenyl)-8-oxo-7-{2-[(Z)-prop-2-ynyloxyimino]-2-[2-(trityl-amino)-thiazol-4-yl]-acetylamino}-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid 4-methoxy-benzyl ester

: (6R,7R)-3-[(E)-3-(5,6-Diamino-pyrimidin-4-ylsulfanyl)-propenyl]-8-oxo-7-{2-[(Z)-prop-2-ynyloxyimino]-2-[2-(trityl-amino)-thiazol-4-yl]-acetylamino}-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid 4-methoxy-benzyl ester

Conditions

Conditions	Yield
In N,N-dimethyl-formamide

4,5-Diamino-6-mercaptopyrimidine Specification

The 4,5-Diamino-6-mercaptopyrimidine with the cas number 2846-89-1, is also called 4-pyrimidinethiol, 5,6-diamino-. The systematic name is 5,6-diaminopyrimidine-4(1H)-thione. Its molecular formula is C₄H₆N₄S. Its EINECS is 220-644-8. This chemical is a kind of organics.

The properties of the chemical are: (1)ACD/LogP: -2.15; (2)# of Rule of 5 Violations: 1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1.54; (6)ACD/KOC (pH 7.4): 1.47; (7)#H bond acceptors: 4; (8)#H bond donors: 5; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 54.17 Å²; (11)Index of Refraction: 1.85; (12)Molar Refractivity: 35.68 cm³; (13)Molar Volume: 79.8 cm³; (14)Polarizability: 14.14×10^-24cm³; (15)Surface Tension: 77.1 dyne/cm; (16)Enthalpy of Vaporization: 46.59 kJ/mol; (17)Vapour Pressure: 0.07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: S=C1/N=C\NC(\N)=C1\N
(2)InChI: InChI=1/C4H6N4S/c5-2-3(6)7-1-8-4(2)9/h1H,5H2,(H3,6,7,8,9)

Product Name

4,5-DIAMINO-6-MERCAPTOPYRIMIDINE

Synthetic route

4,5-Diamino-6-mercaptopyrimidine Specification

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