ChemSpider 2D Image | N-Benzyl-N'-ethyl-2-(4-fluorophenyl)-N-methyl-N'-[2-(4-pyridinyl)ethyl]-4,6-pyrimidinediamine | C27H28FN5

N-Benzyl-N'-ethyl-2-(4-fluorophenyl)-N-methyl-N'-[2-(4-pyridinyl)ethyl]-4,6-pyrimidinediamine

  • Molecular FormulaC27H28FN5
  • Average mass441.543 Da
  • Monoisotopic mass441.232880 Da
  • ChemSpider ID121184634

More details:

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

4,6-Pyrimidinediamine, N4-ethyl-2-(4-fluorophenyl)-N6-methyl-N6-(phenylmethyl)-N4-[2-(4-pyridinyl)ethyl]- [ACD/Index Name]
N-Benzyl-N'-ethyl-2-(4-fluorophenyl)-N-methyl-N'-[2-(4-pyridinyl)ethyl]-4,6-pyrimidinediamine [ACD/IUPAC Name]
N-Benzyl-N'-éthyl-2-(4-fluorophényl)-N-méthyl-N'-[2-(4-pyridinyl)éthyl]-4,6-pyrimidinediamine [French] [ACD/IUPAC Name]
N-Benzyl-N'-ethyl-2-(4-fluorphenyl)-N-methyl-N'-[2-(4-pyridinyl)ethyl]-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: 562.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.5±3.0 kJ/mol
Flash Point: 293.9±30.1 °C
Index of Refraction: 1.634
Molar Refractivity: 132.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.88
ACD/LogD (pH 5.5): 4.62
ACD/BCF (pH 5.5): 1305.17
ACD/KOC (pH 5.5): 3798.38
ACD/LogD (pH 7.4): 5.28
ACD/BCF (pH 7.4): 5974.84
ACD/KOC (pH 7.4): 17388.30
Polar Surface Area: 45 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 53.5±3.0 dyne/cm
Molar Volume: 369.0±3.0 cm3

Click to predict properties on the Chemicalize site


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