ChemSpider 2D Image | 2-(4-Pyridinyl)-N-{[1-(2,2,2-trifluoroethyl)-4-piperidinyl]methyl}-6-(trifluoromethyl)-4-pyrimidinamine | C18H19F6N5

2-(4-Pyridinyl)-N-{[1-(2,2,2-trifluoroethyl)-4-piperidinyl]methyl}-6-(trifluoromethyl)-4-pyrimidinamine

  • Molecular FormulaC18H19F6N5
  • Average mass419.367 Da
  • Monoisotopic mass419.154480 Da
  • ChemSpider ID70766607

More details:

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

2-(4-Pyridinyl)-N-{[1-(2,2,2-trifluorethyl)-4-piperidinyl]methyl}-6-(trifluormethyl)-4-pyrimidinamin [German] [ACD/IUPAC Name]
2-(4-Pyridinyl)-N-{[1-(2,2,2-trifluoroethyl)-4-piperidinyl]methyl}-6-(trifluoromethyl)-4-pyrimidinamine [ACD/IUPAC Name]
2-(4-Pyridinyl)-N-{[1-(2,2,2-trifluoroéthyl)-4-pipéridinyl]méthyl}-6-(trifluorométhyl)-4-pyrimidinamine [French] [ACD/IUPAC Name]
4-Pyrimidinamine, 2-(4-pyridinyl)-N-[[1-(2,2,2-trifluoroethyl)-4-piperidinyl]methyl]-6-(trifluoromethyl)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 407.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.0±3.0 kJ/mol
Flash Point: 200.4±28.7 °C
Index of Refraction: 1.510
Molar Refractivity: 94.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 3.28
ACD/BCF (pH 5.5): 174.97
ACD/KOC (pH 5.5): 1329.05
ACD/LogD (pH 7.4): 3.36
ACD/BCF (pH 7.4): 211.23
ACD/KOC (pH 7.4): 1604.49
Polar Surface Area: 54 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 40.0±3.0 dyne/cm
Molar Volume: 314.9±3.0 cm3

Click to predict properties on the Chemicalize site


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