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571187-03-6

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Basic Information
CAS No.: 571187-03-6
Name: 6-METHYL-N'-(4-(PYRIDIN-3-YL)PYRIMIDIN-2-YL)BENZENE-1,3-DIAMINE
Article Data: 6
Molecular Structure:
Molecular Structure of 571187-03-6 (6-METHYL-N'-(4-(PYRIDIN-3-YL)PYRIMIDIN-2-YL)BENZENE-1,3-DIAMINE)
Formula: C16H15N5
Molecular Weight: 277.329
Synonyms: 4-Methyl-N1-[4-(pyridin-3-yl)pyrimidin-2-yl]benzene-1,3-diamine;
Density: 1.266 g/cm3
Boiling Point: 542.773 °C at 760 mmHg
Flash Point: 282.059 °C
PSA: 76.72000
LogP: 3.82700
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Specification

The 4-Methyl-N1-[4-(3-pyridinyl)-2-pyrimidinyl]-1,3-benzenediamine, with the CAS registry number 571187-03-6, is also known as 4-Methyl-N1-[4-(pyridin-3-yl)pyrimidin-2-yl]benzene-1,3-diamine. This chemical's molecular formula is C16H15N5 and molecular weight is 277.32. What's more, its systematic name is 4-Methyl-N1-[4-(3-pyridinyl)-2-pyrimidinyl]-1,3-benzenediamine.

Physical properties of 4-Methyl-N1-[4-(3-pyridinyl)-2-pyrimidinyl]-1,3-benzenediamine are: (1)ACD/LogP: 1.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.66; (4)ACD/LogD (pH 7.4): 1.68; (5)ACD/BCF (pH 5.5): 10.74; (6)ACD/BCF (pH 7.4): 11.12; (7)ACD/KOC (pH 5.5): 188.43; (8)ACD/KOC (pH 7.4): 195.19; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 76.72 Å2; (13)Index of Refraction: 1.688; (14)Molar Refractivity: 83.554 cm3; (15)Molar Volume: 218.985 cm3; (16)Polarizability: 33.123×10-24cm3; (17)Surface Tension: 64.2 dyne/cm; (18)Density: 1.266 g/cm3; (19)Flash Point: 282.059 °C; (20)Enthalpy of Vaporization: 82.098 kJ/mol; (21)Boiling Point: 542.773 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ccc(cc1N)Nc2nc(ccn2)c3cccnc3
(2)Std. InChI: InChI=1S/C16H15N5/c1-11-4-5-13(9-14(11)17)20-16-19-8-6-15(21-16)12-3-2-7-18-10-12/h2-10H,17H2,1H3,(H,19,20,21)
(3)Std. InChIKey: PYUGCRTUSJFWNM-UHFFFAOYSA-N