ChemSpider 2D Image | 4-(Difluoromethyl)-6-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-N-(4-fluorobenzyl)-2-pyrimidinamine | C18H18F3N5

4-(Difluoromethyl)-6-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-N-(4-fluorobenzyl)-2-pyrimidinamine

  • Molecular FormulaC18H18F3N5
  • Average mass361.364 Da
  • Monoisotopic mass361.151428 Da
  • ChemSpider ID23720871

More details:

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

2-Pyrimidinamine, 4-(difluoromethyl)-6-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-N-[(4-fluorophenyl)methyl]- [ACD/Index Name]
4-(Difluormethyl)-6-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-N-(4-fluorbenzyl)-2-pyrimidinamin [German] [ACD/IUPAC Name]
4-(Difluoromethyl)-6-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-N-(4-fluorobenzyl)-2-pyrimidinamine [ACD/IUPAC Name]
4-(Difluorométhyl)-6-(1-éthyl-5-méthyl-1H-pyrazol-4-yl)-N-(4-fluorobenzyl)-2-pyrimidinamine [French] [ACD/IUPAC Name]
[4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)pyrimidin-2-yl][(4-fluorophenyl)methyl]amine
[4-Difluoromethyl-6-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-pyrimidin-2-yl]-(4-fluoro-benzyl)-amine
4-(difluoromethyl)-6-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-N-(4-fluorobenzyl)pyrimidin-2-amine
4-(DIFLUOROMETHYL)-6-(1-ETHYL-5-METHYL-1H-PYRAZOL-4-YL)-N-[(4-FLUOROPHENYL)METHYL]PYRIMIDIN-2-AMINE
4-(DIFLUOROMETHYL)-6-(1-ETHYL-5-METHYLPYRAZOL-4-YL)-N-[(4-FLUOROPHENYL)METHYL]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: 529.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.5±3.0 kJ/mol
Flash Point: 274.1±32.9 °C
Index of Refraction: 1.598
Molar Refractivity: 93.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.32
ACD/LogD (pH 5.5): 3.93
ACD/BCF (pH 5.5): 572.74
ACD/KOC (pH 5.5): 3279.02
ACD/LogD (pH 7.4): 3.93
ACD/BCF (pH 7.4): 572.74
ACD/KOC (pH 7.4): 3279.07
Polar Surface Area: 56 Å2
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 39.1±7.0 dyne/cm
Molar Volume: 273.4±7.0 cm3

Click to predict properties on the Chemicalize site


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