ChemSpider 2D Image | 6-(4-{4-[4-Fluoro-3-(trifluoromethyl)phenyl]-1-methyl-1H-imidazol-2-yl}-1-piperidinyl)-5-methoxy-4-pyrimidinamine | C21H22F4N6O

6-(4-{4-[4-Fluoro-3-(trifluoromethyl)phenyl]-1-methyl-1H-imidazol-2-yl}-1-piperidinyl)-5-methoxy-4-pyrimidinamine

  • Molecular FormulaC21H22F4N6O
  • Average mass450.433 Da
  • Monoisotopic mass450.179108 Da
  • ChemSpider ID61720141

More details:

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

4-Pyrimidinamine, 6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methyl-1H-imidazol-2-yl]-1-piperidinyl]-5-methoxy- [ACD/Index Name]
6-(4-{4-[4-Fluor-3-(trifluormethyl)phenyl]-1-methyl-1H-imidazol-2-yl}-1-piperidinyl)-5-methoxy-4-pyrimidinamin [German] [ACD/IUPAC Name]
6-(4-{4-[4-Fluoro-3-(trifluoromethyl)phenyl]-1-methyl-1H-imidazol-2-yl}-1-piperidinyl)-5-methoxy-4-pyrimidinamine [ACD/IUPAC Name]
6-(4-{4-[4-Fluoro-3-(trifluorométhyl)phényl]-1-méthyl-1H-imidazol-2-yl}-1-pipéridinyl)-5-méthoxy-4-pyrimidinamine [French] [ACD/IUPAC 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: 658.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.0±3.0 kJ/mol
Flash Point: 352.3±31.5 °C
Index of Refraction: 1.621
Molar Refractivity: 109.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.59
ACD/LogD (pH 5.5): 2.36
ACD/BCF (pH 5.5): 15.01
ACD/KOC (pH 5.5): 84.65
ACD/LogD (pH 7.4): 3.90
ACD/BCF (pH 7.4): 525.16
ACD/KOC (pH 7.4): 2961.70
Polar Surface Area: 82 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 44.1±7.0 dyne/cm
Molar Volume: 310.5±7.0 cm3

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