ChemSpider 2D Image | 4-[6-(Dimethylamino)-2-methyl-4-pyrimidinyl]-N-[3-(trifluoromethyl)phenyl]-1-piperazinecarboxamide | C19H23F3N6O

4-[6-(Dimethylamino)-2-methyl-4-pyrimidinyl]-N-[3-(trifluoromethyl)phenyl]-1-piperazinecarboxamide

  • Molecular FormulaC19H23F3N6O
  • Average mass408.421 Da
  • Monoisotopic mass408.188538 Da
  • ChemSpider ID22952559

More details:

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

1-Piperazinecarboxamide, 4-[6-(dimethylamino)-2-methyl-4-pyrimidinyl]-N-[3-(trifluoromethyl)phenyl]- [ACD/Index Name]
4-[6-(Dimethylamino)-2-methyl-4-pyrimidinyl]-N-[3-(trifluormethyl)phenyl]-1-piperazincarboxamid [German] [ACD/IUPAC Name]
4-[6-(Dimethylamino)-2-methyl-4-pyrimidinyl]-N-[3-(trifluoromethyl)phenyl]-1-piperazinecarboxamide [ACD/IUPAC Name]
4-[6-(Diméthylamino)-2-méthyl-4-pyrimidinyl]-N-[3-(trifluorométhyl)phényl]-1-pipérazinecarboxamide [French] [ACD/IUPAC Name]
4-(6-(dimethylamino)-2-methylpyrimidin-4-yl)-N-(3-(trifluoromethyl)phenyl)piperazine-1-carboxamide
4-[6-(DIMETHYLAMINO)-2-METHYLPYRIMIDIN-4-YL]-N-[3-(TRIFLUOROMETHYL)PHENYL]PIPERAZINE-1-CARBOXAMIDE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 589.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 87.9±3.0 kJ/mol
Flash Point: 310.1±30.1 °C
Index of Refraction: 1.597
Molar Refractivity: 104.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.23
ACD/LogD (pH 5.5): 0.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.37
ACD/LogD (pH 7.4): 2.17
ACD/BCF (pH 7.4): 17.30
ACD/KOC (pH 7.4): 163.79
Polar Surface Area: 65 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 54.5±3.0 dyne/cm
Molar Volume: 305.6±3.0 cm3

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