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Basic Information
CAS No.: 165258-70-8
Name: 2-AMINO-4-DIMETHYLAMINO-6-FLUOROPYRIMIDINE
Article Data: 1
Molecular Structure:
Molecular Structure of 165258-70-8 (2-AMINO-4-DIMETHYLAMINO-6-FLUOROPYRIMIDINE)
Formula: C6H9FN4
Molecular Weight: 156.163
Synonyms: 6-Fluoro-N4,N4-dimethylpyrimidine-2,4-diamine;2-Amino-4-dimethylamino-6-fluoropyrimidine;
Density: 1.297 g/cm3
Boiling Point: 337.5 °C at 760 mmHg
Flash Point: 157.9 °C
PSA: 55.04000
LogP: 0.84510
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Specification

The 2,4-Pyrimidinediamine,6-fluoro-N4,N4-dimethyl-, with the CAS registry number 165258-70-8, is also known as 2-Amino-4-dimethylamino-6-fluoropyrimidine. It belongs to the product category of Halide. This chemical's molecular formula is C6H9FN4 and molecular weight is 156.16. What's more, its systematic name is 6-fluoro-N4,N4-dimethylpyrimidine-2,4-diamine.

Physical properties of 2,4-Pyrimidinediamine,6-fluoro-N4,N4-dimethyl- are: (1)ACD/LogP: 0.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.23; (4)ACD/LogD (pH 7.4): 1.25; (5)ACD/BCF (pH 5.5): 5; (6)ACD/BCF (pH 7.4): 5.27; (7)ACD/KOC (pH 5.5): 108.45; (8)ACD/KOC (pH 7.4): 114.35; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 32.26 Å2; (13)Index of Refraction: 1.596; (14)Molar Refractivity: 40.97 cm3; (15)Molar Volume: 120.3 cm3; (16)Polarizability: 16.24×10-24cm3; (17)Surface Tension: 56.8 dyne/cm; (18)Density: 1.297 g/cm3; (19)Flash Point: 157.9 °C; (20)Enthalpy of Vaporization: 58.07 kJ/mol; (21)Boiling Point: 337.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000105 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1nc(nc(N(C)C)c1)N
(2)InChI: InChI=1S/C6H9FN4/c1-11(2)5-3-4(7)9-6(8)10-5/h3H,1-2H3,(H2,8,9,10)
(3)InChIKey: OMRWFPPROQPSOT-UHFFFAOYSA-N