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5-Pyrimidinecarbonitrile,2,4-diamino-6-methyl-

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Name

5-Pyrimidinecarbonitrile,2,4-diamino-6-methyl-

EINECS N/A
CAS No. 7466-13-9 Density 1.37 g/cm3
PSA 101.61000 LogP 0.98348
Solubility N/A Melting Point N/A
Formula C6H7N5 Boiling Point 481.5 °C at 760 mmHg
Molecular Weight 149.1533 Flash Point 245 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 7466-13-9 (5-Pyrimidinecarbonitrile, 2,4-diamino-6-methyl- (8CI)) Hazard Symbols N/A
Synonyms

NSC 402532;

 

5-Pyrimidinecarbonitrile,2,4-diamino-6-methyl- Specification

The CAS registry number of 5-Pyrimidinecarbonitrile,2,4-diamino-6-methyl- is 7466-13-9. It belongs to the product category of Pyrimidine. The molecular formula of it is C6H7N5 and molecular weight is 149.15328. Its systematic name and IUPAC name are the same which is called 2,4-diamino-6-methylpyrimidine-5-carbonitrile.

Physical properties about this chemical are: (1)ACD/LogP: 0.29; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 4; (5)#Freely Rotating Bonds: 0; (6)Index of Refraction: 1.631; (7)Molar Refractivity: 38.77 cm3; (8)Molar Volume: 108.7 cm3; (9)Surface Tension: 93.5 dyne/cm; (10)Density: 1.37 g/cm3; (11)Flash Point: 245 °C; (12)Enthalpy of Vaporization: 74.62 kJ/mol; (13)Boiling Point: 481.5 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1c(nc(nc1C)N)N
(2)InChI: InChI=1/C6H7N5/c1-3-4(2-7)5(8)11-6(9)10-3/h1H3,(H4,8,9,10,11)
(3)InChIKey: ROEHHIZFOGEJRN-UHFFFAOYAL

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