ChemSpider 2D Image | N'-(2-Fluorophenyl)-N-(3-methylphenyl)-2-(2-methyl-2-propanyl)-N-(3-pyridinylmethyl)-4,6-pyrimidinediamine | C27H28FN5

N'-(2-Fluorophenyl)-N-(3-methylphenyl)-2-(2-methyl-2-propanyl)-N-(3-pyridinylmethyl)-4,6-pyrimidinediamine

  • Molecular FormulaC27H28FN5
  • Average mass441.543 Da
  • Monoisotopic mass441.232880 Da
  • ChemSpider ID121453487

More details:

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

4,6-Pyrimidinediamine, 2-(1,1-dimethylethyl)-N6-(2-fluorophenyl)-N4-(3-methylphenyl)-N4-(3-pyridinylmethyl)- [ACD/Index Name]
N'-(2-Fluorophenyl)-N-(3-methylphenyl)-2-(2-methyl-2-propanyl)-N-(3-pyridinylmethyl)-4,6-pyrimidinediamine [ACD/IUPAC Name]
N'-(2-Fluorophényl)-N-(3-méthylphényl)-2-(2-méthyl-2-propanyl)-N-(3-pyridinylméthyl)-4,6-pyrimidinediamine [French] [ACD/IUPAC Name]
N'-(2-Fluorphenyl)-N-(3-methylphenyl)-2-(2-methyl-2-propanyl)-N-(3-pyridinylmethyl)-4,6-pyrimidindiamin [German] [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: 604.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.9±3.0 kJ/mol
Flash Point: 319.2±31.5 °C
Index of Refraction: 1.635
Molar Refractivity: 131.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 7.59
ACD/LogD (pH 5.5): 5.54
ACD/BCF (pH 5.5): 5726.79
ACD/KOC (pH 5.5): 9249.80
ACD/LogD (pH 7.4): 6.44
ACD/BCF (pH 7.4): 45072.00
ACD/KOC (pH 7.4): 72799.32
Polar Surface Area: 54 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 51.4±3.0 dyne/cm
Molar Volume: 367.6±3.0 cm3

Click to predict properties on the Chemicalize site


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