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CAS No.: | 7466-13-9 |
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Name: | 5-Pyrimidinecarbonitrile, 2,4-diamino-6-methyl- (8CI) |
Molecular Structure: | |
Formula: | C6H7N5 |
Molecular Weight: | 149.1533 |
Synonyms: | NSC 402532; |
Density: | 1.37 g/cm3 |
Boiling Point: | 481.5 °C at 760 mmHg |
Flash Point: | 245 °C |
PSA: | 101.61000 |
LogP: | 0.98348 |
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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