2-Pyrimidinamine,4-chloro-6-methyl-5-(2-propyn-1-yl)- (132938-37-5)

The 4-Chloro-6-methyl-5-(2-propynyl)-2-pyrimidinamine with the cas number 132938-37-5 is also called 6-Chloro-4-methyl-5-(2-propynyl)-2-pyrimidinamine. The systematic name is 2-pyrimidinamine, 4-chloro-6-methyl-5-(2-propyn-1-yl)-. Its molecular formula is C₈H₈ClN₃. The product's category is Heterocycle. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 1.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.27; (4)ACD/LogD (pH 7.4): 1.27; (5)ACD/BCF (pH 5.5): 5.43; (6)ACD/BCF (pH 7.4): 5.44; (7)ACD/KOC (pH 5.5): 116.9; (8)ACD/KOC (pH 7.4): 116.94; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 51.8Ų; (13)Index of Refraction: 1.61; (14)Molar Refractivity: 48.4 cm³; (15)Molar Volume: 139.4 cm³; (16)Polarizability: 19.18×10^-24cm³; (17)Surface Tension: 61.3 dyne/cm; (18)Enthalpy of Vaporization: 59.38 kJ/mol; (19)Vapour Pressure: 4.75×10^-5 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1c(c(nc(n1)N)Cl)CC#C
(2)InChI: InChI=1/C8H8ClN3/c1-3-4-6-5(2)11-8(10)12-7(6)9/h1H,4H2,2H3,(H2,10,11,12)
(3)InChIKey: QWBJSLGKMVRROO-UHFFFAOYAN