ChemSpider 2D Image | N~2~-{[4-(3-Fluorophenyl)-5-(2-pyridinyl)-1H-imidazol-2-yl]methyl}-N~4~,6-dimethyl-2,4-pyrimidinediamine | C21H20FN7

N2-{[4-(3-Fluorophenyl)-5-(2-pyridinyl)-1H-imidazol-2-yl]methyl}-N4,6-dimethyl-2,4-pyrimidinediamine

  • Molecular FormulaC21H20FN7
  • Average mass389.429 Da
  • Monoisotopic mass389.176422 Da
  • ChemSpider ID29587520

More details:

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

2,4-Pyrimidinediamine, N2-[[4-(3-fluorophenyl)-5-(2-pyridinyl)-1H-imidazol-2-yl]methyl]-N4,6-dimethyl- [ACD/Index Name]
N2-{[4-(3-Fluorophenyl)-5-(2-pyridinyl)-1H-imidazol-2-yl]methyl}-N4,6-dimethyl-2,4-pyrimidinediamine [ACD/IUPAC Name]
N2-{[4-(3-Fluorophényl)-5-(2-pyridinyl)-1H-imidazol-2-yl]méthyl}-N4,6-diméthyl-2,4-pyrimidinediamine [French] [ACD/IUPAC Name]
N2-{[4-(3-Fluorphenyl)-5-(2-pyridinyl)-1H-imidazol-2-yl]methyl}-N4,6-dimethyl-2,4-pyrimidindiamin [German] [ACD/IUPAC Name]
N2-{[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl}-N4,6-dimethylpyrimidine-2,4-diamine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 677.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.4±3.0 kJ/mol
Flash Point: 363.4±34.3 °C
Index of Refraction: 1.685
Molar Refractivity: 110.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.22
ACD/LogD (pH 5.5): 1.51
ACD/BCF (pH 5.5): 3.30
ACD/KOC (pH 5.5): 27.34
ACD/LogD (pH 7.4): 2.97
ACD/BCF (pH 7.4): 93.89
ACD/KOC (pH 7.4): 777.82
Polar Surface Area: 91 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 64.3±3.0 dyne/cm
Molar Volume: 291.3±3.0 cm3

Click to predict properties on the Chemicalize site


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