4(3H)-Pyrimidinone, 5,6-diamino-2-methyl- supplier

Name
4(1H)-PYRIMIDINONE, 5,6-DIAMINO-2-METHYL-
EINECS
CAS No. 45741-61-5
Article Data10
CAS DataBase
Density 1.67 g/cm³
Solubility
Melting Point
Formula C₅H₈N₄O
Boiling Point 225.5 °C at 760 mmHg
Molecular Weight 140.145
Flash Point 90.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4(1H)-Pyrimidinone, 5,6-diamino-2-methyl- (9CI);4-Pyrimidinol,5,6-diamino-2-methyl- (6CI);4,5-Diamino-2-methyl-6-hydroxypyrimidine;
PSA 97.79000
LogP 0.40510

4(3H)-Pyrimidinone, 5,6-diamino-2-methyl- Specification

The 4(3H)-Pyrimidinone, 5,6-diamino-2-methyl-, with the CAS registry number 45741-61-5, is also known as 4(1H)-Pyrimidinone, 5,6-diamino-2-methyl-. It belongs to the product category of Pyrimidine. This chemical's molecular formula is C₅H₈N₄O and molecular weight is 140.14. What's more, its systematic name is called 5,6-Diamino-2-methylpyrimidin-4(1H)-one.

Physical properties about 4(3H)-Pyrimidinone, 5,6-diamino-2-methyl- are: (1)ACD/LogP: -2.86; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 5; (4)#H bond donors: 5; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 39.15 Å²; (7)Index of Refraction: 1.736; (8)Molar Refractivity: 33.63 cm³; (9)Molar Volume: 83.7 cm³; (10)Surface Tension: 72.7 dyne/cm; (11)Density: 1.67 g/cm³; (12)Flash Point: 90.2 °C; (13)Enthalpy of Vaporization: 46.2 kJ/mol; (14)Boiling Point: 225.5 °C at 760 mmHg; (15)Vapour Pressure: 0.0862 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1/N=C(\NC(\N)=C1\N)C
(2) InChI: InChI=1/C5H8N4O/c1-2-8-4(7)3(6)5(10)9-2/h6H2,1H3,(H3,7,8,9,10)
(3) InChIKey: ZYTSUWIWLUKHJR-UHFFFAOYAD

Product Name

4(1H)-PYRIMIDINONE, 5,6-DIAMINO-2-METHYL-

4(3H)-Pyrimidinone, 5,6-diamino-2-methyl- Specification

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