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717-61-3

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Basic Information
CAS No.: 717-61-3
Name: 2,6-BIS(TRIFLUOROMETHYL)PYRIMIDIN-4-AMINE
Molecular Structure:
Molecular Structure of 717-61-3 (2,6-BIS(TRIFLUOROMETHYL)PYRIMIDIN-4-AMINE)
Formula: C6H3F6N3
Molecular Weight: 231.1
Synonyms: [2, 6-Bis(trifluoromethyl)pyrimidin-4-yl]amine;
Density: 1.591 g/cm3
Boiling Point: 172.2 °C at 760 mmHg
Flash Point: 57.9 °C
PSA: 51.80000
LogP: 2.67760
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    Product Name: 2,6-BIS(TRIFLUOROMETHYL)PYRIMIDIN-4-AMINE Synonyms: 2,6-BIS(TRIFLUOROMETHYL)PYRIMIDIN-4-AMINE;4-PYRIMIDINAMINE, 2,6-BIS(TRIFLUOROMETHYL)-;AKOS A0602-0702;[2,6-bis(trifluoromethyl)pyrimidin-4-yl]amine CAS: 717-61-3

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Specification

The 2, 6-Bis(trifluoromethyl)-4-pyrimidinamine, with the CAS registry number 717-61-3, is also known as [2, 6-Bis(trifluoromethyl)pyrimidin-4-yl]amine. This chemical's molecular formula is C6H3F6N3 and molecular weight is 231.1. What's more, its IUPAC name is 2, 6-Bis(trifluoromethyl)pyrimidin-4-amine. 

Physical properties about 2, 6-Bis(trifluoromethyl)-4-pyrimidinamine are: (1)ACD/LogP: 0.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.89; (4)ACD/LogD (pH 7.4): 0.89; (5)ACD/BCF (pH 5.5): 2.77; (6)ACD/BCF (pH 7.4): 2.77; (7)ACD/KOC (pH 5.5): 72.18; (8)ACD/KOC (pH 7.4): 72.18; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 29.02 Å2; (13)Index of Refraction: 1.418; (14)Molar Refractivity: 36.63 cm3; (15)Molar Volume: 145.1 cm3; (16)Polarizability: 14.52×10-24 cm3; (17)Surface Tension: 28.6 dyne/cm; (18)Density: 1.591 g/cm3; (19)Flash Point: 57.9 °C; (20)Enthalpy of Vaporization: 40.85 kJ/mol; (21)Boiling Point: 172.2 °C at 760 mmHg; (22)Vapour Pressure: 1.35 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)c1nc(cc(n1)N)C(F)(F)F
(2) InChI: InChI=1/C6H3F6N3/c7-5(8,9)2-1-3(13)15-4(14-2)6(10,11)12/h1H,(H2,13,14,15)
(3) InChIKey: VVDQDNLSLIIHSI-UHFFFAOYAH