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6307-01-3

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Basic Information
CAS No.: 6307-01-3
Name: 2,6-dibenzyl-5-phenylpyrimidin-4-amine
Article Data: 7
Molecular Structure:
Molecular Structure of 6307-01-3 (2,6-dibenzyl-5-phenylpyrimidin-4-amine)
Formula: C24H21N3
Molecular Weight: 351.451
Synonyms: Pyrimidine, 4-amino-2, 6-dibenzyl-5-phenyl-;
Density: 1.162 g/cm3
Boiling Point: 557.3 °C at 760 mmHg
Flash Point: 325.1 °C
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Specification

The 4-Pyrimidinamine, 5-phenyl-2, 6-dibenzyl-, with the CAS registry number 6307-01-3, is also known as Pyrimidine, 4-amino-2, 6-dibenzyl-5-phenyl-. This chemical's molecular formula is C24H21N3 and molecular weight is 351.4436. What's more, its IUPAC name is 2, 6-Dibenzyl-5-phenylpyrimidin-4-amine. 

Physical properties about 4-Pyrimidinamine, 5-phenyl-2, 6-bis(phenylmethyl)- are: (1)ACD/LogP: 5.44; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.06; (4)ACD/LogD (pH 7.4): 5.63; (5)ACD/BCF (pH 5.5): 3022.02; (6)ACD/BCF (pH 7.4): 11004.67; (7)ACD/KOC (pH 5.5): 7396.11; (8)ACD/KOC (pH 7.4): 26932.9; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 29.02 Å2; (13)Index of Refraction: 1.647; (14)Molar Refractivity: 109.89 cm3; (15)Molar Volume: 302.2 cm3; (16)Polarizability: 43.56×10-24 cm3; (17)Surface Tension: 53.3 dyne/cm; (18)Density: 1.162 g/cm3; (19)Flash Point: 325.1 °C; (20)Enthalpy of Vaporization: 83.91 kJ/mol; (21)Boiling Point: 557.3 °C at 760 mmHg; (22)Vapour Pressure: 1.87E-12 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: n1c(c(c(nc1Cc2ccccc2)N)c3ccccc3)Cc4ccccc4
(2) InChI: InChI=1/C24H21N3/c25-24-23(20-14-8-3-9-15-20)21(16-18-10-4-1-5-11-18)26-22(27-24)17-19-12-6-2-7-13-19/h1-15H,16-17H2,(H2,25,26,27)
(3) InChIKey: YYHHGERFHBNSHG-UHFFFAOYAB