ChemSpider 2D Image | N-Ethyl-2-[4-(2-methyl-2-propanyl)phenyl]-N-[2-(4-pyridinyl)ethyl]-6-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-1-pyrrolidinyl]-4-pyrimidinamine | C34H43N7

N-Ethyl-2-[4-(2-methyl-2-propanyl)phenyl]-N-[2-(4-pyridinyl)ethyl]-6-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-1-pyrrolidinyl]-4-pyrimidinamine

  • Molecular FormulaC34H43N7
  • Average mass549.752 Da
  • Monoisotopic mass549.357971 Da
  • ChemSpider ID121973234

More details:

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

4-Pyrimidinamine, 2-[4-(1,1-dimethylethyl)phenyl]-N-ethyl-N-[2-(4-pyridinyl)ethyl]-6-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-1-pyrrolidinyl]- [ACD/Index Name]
N-Ethyl-2-[4-(2-methyl-2-propanyl)phenyl]-N-[2-(4-pyridinyl)ethyl]-6-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-1-pyrrolidinyl]-4-pyrimidinamin [German] [ACD/IUPAC Name]
N-Ethyl-2-[4-(2-methyl-2-propanyl)phenyl]-N-[2-(4-pyridinyl)ethyl]-6-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-1-pyrrolidinyl]-4-pyrimidinamine [ACD/IUPAC Name]
N-Éthyl-2-[4-(2-méthyl-2-propanyl)phényl]-N-[2-(4-pyridinyl)éthyl]-6-[2-(4,5,6,7-tétrahydro-1H-benzimidazol-2-yl)-1-pyrrolidinyl]-4-pyrimidinamine [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 737.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.6±3.0 kJ/mol
Flash Point: 399.8±32.9 °C
Index of Refraction: 1.622
Molar Refractivity: 165.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.97
ACD/LogD (pH 5.5): 3.60
ACD/BCF (pH 5.5): 63.37
ACD/KOC (pH 5.5): 100.44
ACD/LogD (pH 7.4): 6.24
ACD/BCF (pH 7.4): 27938.97
ACD/KOC (pH 7.4): 44283.28
Polar Surface Area: 74 Å2
Polarizability: 65.6±0.5 10-24cm3
Surface Tension: 56.6±3.0 dyne/cm
Molar Volume: 469.9±3.0 cm3

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