ChemSpider 2D Image | N-[3-(1H-Imidazol-1-yl)-1-phenylpropyl]-4-(1-methyl-1H-pyrazol-4-yl)-2-pyrimidinamine | C20H21N7

N-[3-(1H-Imidazol-1-yl)-1-phenylpropyl]-4-(1-methyl-1H-pyrazol-4-yl)-2-pyrimidinamine

  • Molecular FormulaC20H21N7
  • Average mass359.428 Da
  • Monoisotopic mass359.185852 Da
  • ChemSpider ID22522608

More details:

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

2-Pyrimidinamine, N-[3-(1H-imidazol-1-yl)-1-phenylpropyl]-4-(1-methyl-1H-pyrazol-4-yl)- [ACD/Index Name]
N-[3-(1H-Imidazol-1-yl)-1-phenylpropyl]-4-(1-methyl-1H-pyrazol-4-yl)-2-pyrimidinamin [German] [ACD/IUPAC Name]
N-[3-(1H-Imidazol-1-yl)-1-phenylpropyl]-4-(1-methyl-1H-pyrazol-4-yl)-2-pyrimidinamine [ACD/IUPAC Name]
N-[3-(1H-Imidazol-1-yl)-1-phénylpropyl]-4-(1-méthyl-1H-pyrazol-4-yl)-2-pyrimidinamine [French] [ACD/IUPAC Name]
N-[3-(1H-imidazol-1-yl)-1-phenylpropyl]-4-(1-methyl-1H-pyrazol-4-yl)pyrimidin-2-amine
N-[3-(IMIDAZOL-1-YL)-1-PHENYLPROPYL]-4-(1-METHYLPYRAZOL-4-YL)PYRIMIDIN-2-AMINE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 671.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.6±3.0 kJ/mol
Flash Point: 359.8±34.3 °C
Index of Refraction: 1.680
Molar Refractivity: 107.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.99
ACD/LogD (pH 5.5): 1.21
ACD/BCF (pH 5.5): 2.30
ACD/KOC (pH 5.5): 25.92
ACD/LogD (pH 7.4): 2.45
ACD/BCF (pH 7.4): 40.52
ACD/KOC (pH 7.4): 457.63
Polar Surface Area: 73 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 52.7±7.0 dyne/cm
Molar Volume: 284.7±7.0 cm3

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