ChemSpider 2D Image | N-(2-Bromo-4-methylphenyl)-2-(4-methylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine | C21H20BrN3

N-(2-Bromo-4-methylphenyl)-2-(4-methylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

  • Molecular FormulaC21H20BrN3
  • Average mass394.308 Da
  • Monoisotopic mass393.084045 Da
  • ChemSpider ID67329055

More details:






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

5H-Cyclopenta[d]pyrimidin-4-amine, N-(2-bromo-4-methylphenyl)-6,7-dihydro-2-(4-methylphenyl)- [ACD/Index Name]
N-(2-Brom-4-methylphenyl)-2-(4-methylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amin [German] [ACD/IUPAC Name]
N-(2-Bromo-4-methylphenyl)-2-(4-methylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine [ACD/IUPAC Name]
N-(2-Bromo-4-méthylphényl)-2-(4-méthylphényl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 435.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.1±3.0 kJ/mol
Flash Point: 216.9±28.7 °C
Index of Refraction: 1.666
Molar Refractivity: 105.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.79
ACD/LogD (pH 5.5): 4.69
ACD/BCF (pH 5.5): 1182.96
ACD/KOC (pH 5.5): 2683.76
ACD/LogD (pH 7.4): 5.73
ACD/BCF (pH 7.4): 12921.71
ACD/KOC (pH 7.4): 29315.11
Polar Surface Area: 38 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 54.5±3.0 dyne/cm
Molar Volume: 285.0±3.0 cm3

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