The 4-Pyrimidinamine,5-methyl-, with CAS registry number 22433-68-7, belongs to the following product category: Pyrimidine. It has the systematic name of 5-methylpyrimidin-4-amine. Besides this, it is also called 4-Amino-5-methylpyrimidine. And the chemical formula of this chemical is C5H7N3.
Physical properties of 4-Pyrimidinamine,5-methyl-: (1)ACD/LogP: -0.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5; (8)ACD/KOC (pH 7.4): 29; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 51.8 Å2; (13)Index of Refraction: 1.582; (14)Molar Refractivity: 31.496 cm3; (15)Molar Volume: 94.436 cm3; (16)Polarizability: 12.486×10-24cm3; (17)Surface Tension: 56.619 dyne/cm; (18)Density: 1.156 g/cm3; (19)Flash Point: 126.423 °C; (20)Enthalpy of Vaporization: 48.389 kJ/mol; (21)Boiling Point: 246.753 °C at 760 mmHg; (22)Vapour Pressure: 0.027 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Nc1ncncc1C
(2)InChI: InChI=1/C5H7N3/c1-4-2-7-3-8-5(4)6/h2-3H,1H3,(H2,6,7,8)
(3)InChIKey: XSCYITPLDKUZJB-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C5H7N3/c1-4-2-7-3-8-5(4)6/h2-3H,1H3,(H2,6,7,8)
(5)Std. InChIKey: XSCYITPLDKUZJB-UHFFFAOYSA-N
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