ChemSpider 2D Image | 2-(Cyclopropylamino)-N-[2-methyl-5-({4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl}carbamoyl)phenyl]-5-pyrimidinecarboxamide | C29H32F3N7O2

2-(Cyclopropylamino)-N-[2-methyl-5-({4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl}carbamoyl)phenyl]-5-pyrimidinecarboxamide

  • Molecular FormulaC29H32F3N7O2
  • Average mass567.605 Da
  • Monoisotopic mass567.256958 Da
  • ChemSpider ID34238424

More details:

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

2-(Cyclopropylamino)-N-[2-methyl-5-({4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluormethyl)phenyl}carbamoyl)phenyl]-5-pyrimidincarboxamid [German] [ACD/IUPAC Name]
2-(Cyclopropylamino)-N-[2-methyl-5-({4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl}carbamoyl)phenyl]-5-pyrimidinecarboxamide [ACD/IUPAC Name]
2-(Cyclopropylamino)-N-[2-méthyl-5-({4-[(4-méthyl-1-pipérazinyl)méthyl]-3-(trifluorométhyl)phényl}carbamoyl)phényl]-5-pyrimidinecarboxamide [French] [ACD/IUPAC Name]
5-Pyrimidinecarboxamide, 2-(cyclopropylamino)-N-[2-methyl-5-[[[4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]amino]carbonyl]phenyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.661
Molar Refractivity: 151.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.25
ACD/LogD (pH 5.5): 1.33
ACD/BCF (pH 5.5): 1.96
ACD/KOC (pH 5.5): 14.88
ACD/LogD (pH 7.4): 2.97
ACD/BCF (pH 7.4): 85.39
ACD/KOC (pH 7.4): 649.80
Polar Surface Area: 102 Å2
Polarizability: 60.0±0.5 10-24cm3
Surface Tension: 65.4±3.0 dyne/cm
Molar Volume: 409.6±3.0 cm3

Click to predict properties on the Chemicalize site


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