ChemSpider 2D Image | 6-(1-Azepanyl)-N-[2-(1-pyrrolidinyl)-5-(trifluoromethyl)phenyl]-4-pyrimidinamine | C21H26F3N5

6-(1-Azepanyl)-N-[2-(1-pyrrolidinyl)-5-(trifluoromethyl)phenyl]-4-pyrimidinamine

  • Molecular FormulaC21H26F3N5
  • Average mass405.460 Da
  • Monoisotopic mass405.214020 Da
  • ChemSpider ID67189231

More details:

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

4-Pyrimidinamine, 6-(hexahydro-1H-azepin-1-yl)-N-[2-(1-pyrrolidinyl)-5-(trifluoromethyl)phenyl]- [ACD/Index Name]
6-(1-Azepanyl)-N-[2-(1-pyrrolidinyl)-5-(trifluormethyl)phenyl]-4-pyrimidinamin [German] [ACD/IUPAC Name]
6-(1-Azepanyl)-N-[2-(1-pyrrolidinyl)-5-(trifluoromethyl)phenyl]-4-pyrimidinamine [ACD/IUPAC Name]
6-(1-Azépanyl)-N-[2-(1-pyrrolidinyl)-5-(trifluorométhyl)phényl]-4-pyrimidinamine [French] [ACD/IUPAC 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: 530.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.6±3.0 kJ/mol
Flash Point: 274.5±30.1 °C
Index of Refraction: 1.580
Molar Refractivity: 106.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.13
ACD/LogD (pH 5.5): 4.08
ACD/BCF (pH 5.5): 325.55
ACD/KOC (pH 5.5): 819.79
ACD/LogD (pH 7.4): 5.43
ACD/BCF (pH 7.4): 7226.92
ACD/KOC (pH 7.4): 18198.78
Polar Surface Area: 44 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 49.7±3.0 dyne/cm
Molar Volume: 320.0±3.0 cm3

Click to predict properties on the Chemicalize site


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