2,4,6(1H,3H,5H)-Pyrimidinetrione,5-amino- supplier

Name
URAMIL
EINECS 204-277-0
CAS No. 118-78-5
Article Data27
CAS DataBase
Density 1.497 g/cm³
Solubility
Melting Point >399.85°C
Formula C₄H₅N₃O₃
Boiling Point 261.16°C (rough estimate)
Molecular Weight 143.102
Flash Point
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols
Synonyms 2,4,6-Pyrimidinetriol,5-amino- (5CI);Barbituric acid, 5-amino- (8CI);Uramil (6CI,7CI);5-Amino-2,4,6-pyrimidinetriol;5-Amino-2,4,6-trihydroxypyrimidine;5-Amino-6-hydroxy-2,4(1H,3H)-pyrimidinedione;5-Aminobarbituric acid;Aminobarbituric acid;Dialuramide;Murexan;NSC 264287;NSC 3971;
PSA 101.29000
LogP -0.96240

2,4,6(1H,3H,5H)-Pyrimidinetrione,5-amino- Specification

The 2,4,6(1H,3H,5H)-Pyrimidinetrione,5-amino-, with the CAS registry number 118-78-5 and EINECS registry number 204-277-0, has the systematic name of 5-aminopyrimidine-2,4,6(1H,3H,5H)-trione. And the molecular formula of this chemical is C₄H₅N₃O₃. It can be obtained by the reduction of 2-nitrobarbituric acid, and it is used in the organic synthesis.

The physical properties of 2,4,6(1H,3H,5H)-Pyrimidinetrione,5-amino- are as following: (1)ACD/LogP: -2.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.14; (4)ACD/LogD (pH 7.4): -2.7; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.55; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 60.93 Å²; (13)Index of Refraction: 1.52; (14)Molar Refractivity: 29.08 cm³; (15)Molar Volume: 95.5 cm³; (16)Polarizability: 11.53×10^-24cm³; (17)Surface Tension: 54.9 dyne/cm; (18)Density: 1.497 g/cm³.

Uses of 2,4,6(1H,3H,5H)-Pyrimidinetrione,5-amino-: It be used to produce (5-amino-2,4,6-trioxo-hexahydro-pyrimidin-5-yl)-urea. This reaction will need reagent HI and P(red). The reaction time is 10 minutes with heating, and the yield is about 78%.

2,4,6(1H,3H,5H)-Pyrimidinetrione,5-amino- be used to produce (5-amino-2,4,6-trioxo-hexahydro-pyrimidin-5-yl)-urea

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1NC(=O)NC(=O)C1N
(2)InChI: InChI=1/C4H5N3O3/c5-1-2(8)6-4(10)7-3(1)9/h1H,5H2,(H2,6,7,8,9,10)
(3)InChIKey: PSQZLWHRJMYZHD-UHFFFAOYAM

Product Name

URAMIL

2,4,6(1H,3H,5H)-Pyrimidinetrione,5-amino- Specification

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