ChemSpider 2D Image | 4-Amino-6-(4-{4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methyl-1H-imidazol-2-yl}-1-piperidinyl)-5-pyrimidinecarbonitrile | C21H19F4N7

4-Amino-6-(4-{4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methyl-1H-imidazol-2-yl}-1-piperidinyl)-5-pyrimidinecarbonitrile

  • Molecular FormulaC21H19F4N7
  • Average mass445.416 Da
  • Monoisotopic mass445.163818 Da
  • ChemSpider ID61720139

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4-Amino-6-(4-{4-[4-fluor-3-(trifluormethyl)phenyl]-1-methyl-1H-imidazol-2-yl}-1-piperidinyl)-5-pyrimidincarbonitril [German] [ACD/IUPAC Name]
4-Amino-6-(4-{4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methyl-1H-imidazol-2-yl}-1-piperidinyl)-5-pyrimidinecarbonitrile [ACD/IUPAC Name]
4-Amino-6-(4-{4-[4-fluoro-3-(trifluorométhyl)phényl]-1-méthyl-1H-imidazol-2-yl}-1-pipéridinyl)-5-pyrimidinecarbonitrile [French] [ACD/IUPAC Name]
5-Pyrimidinecarbonitrile, 4-amino-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methyl-1H-imidazol-2-yl]-1-piperidinyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 698.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.3±3.0 kJ/mol
Flash Point: 376.4±31.5 °C
Index of Refraction: 1.649
Molar Refractivity: 109.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.73
ACD/LogD (pH 5.5): 2.94
ACD/BCF (pH 5.5): 65.91
ACD/KOC (pH 5.5): 420.44
ACD/LogD (pH 7.4): 3.69
ACD/BCF (pH 7.4): 370.26
ACD/KOC (pH 7.4): 2361.76
Polar Surface Area: 97 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 48.5±7.0 dyne/cm
Molar Volume: 301.7±7.0 cm3

Click to predict properties on the Chemicalize site


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