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165258-72-0

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Basic Information
CAS No.: 165258-72-0
Name: 2-AMINO-4-DIETHYLAMINO-6-FLUOROPYRIMIDINE
Molecular Structure:
Molecular Structure of 165258-72-0 (2-AMINO-4-DIETHYLAMINO-6-FLUOROPYRIMIDINE)
Formula: C8H13FN4
Molecular Weight: 184.216
Synonyms: 2-Amino-4-diethylamino-6-fluoropyrimidine;N4,N4-Diethyl-6-fluoro-2,4-pyrimidinediamine;
Density: 1.201 g/cm3
Boiling Point: 353.2 °C at 760 mmHg
Flash Point: 167.4 °C
PSA: 55.04000
LogP: 1.62530
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Specification

The 2,4-Pyrimidinediamine,N4,N4-diethyl-6-fluoro-, with the CAS registry number 165258-72-0, is also known as 2-Amino-4-diethylamino-6-fluoropyrimidine. This chemical's molecular formula is C8H13FN4 and molecular weight is 184.21. What's more, its systematic name is N4,N4-diethyl-6-fluoropyrimidine-2,4-diamine.

Physical properties of 2,4-Pyrimidinediamine,N4,N4-diethyl-6-fluoro- are: (1)ACD/LogP: 2.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.25; (4)ACD/LogD (pH 7.4): 2.31; (5)ACD/BCF (pH 5.5): 29.36; (6)ACD/BCF (pH 7.4): 33.8; (7)ACD/KOC (pH 5.5): 375.43; (8)ACD/KOC (pH 7.4): 432.33; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 55.04 Å2; (13)Index of Refraction: 1.568; (14)Molar Refractivity: 50.24 cm3; (15)Molar Volume: 153.3 cm3; (16)Polarizability: 19.91×10-24cm3; (17)Surface Tension: 51.1 dyne/cm; (18)Density: 1.201 g/cm3; (19)Flash Point: 167.4 °C; (20)Enthalpy of Vaporization: 59.81 kJ/mol; (21)Boiling Point: 353.2 °C at 760 mmHg; (22)Vapour Pressure: 3.64E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(nc(N)n1)N(CC)CC
(2)InChI: InChI=1S/C8H13FN4/c1-3-13(4-2)7-5-6(9)11-8(10)12-7/h5H,3-4H2,1-2H3,(H2,10,11,12)
(3)InChIKey: QZABCMVXWXUNRW-UHFFFAOYSA-N