ChemSpider 2D Image | N,N'-Diethyl-6-methyl-5-{3-methyl-3-[4-(trifluoromethyl)phenyl]-1-buten-1-yl}-2,4-pyrimidinediamine | C21H27F3N4

N,N'-Diethyl-6-methyl-5-{3-methyl-3-[4-(trifluoromethyl)phenyl]-1-buten-1-yl}-2,4-pyrimidinediamine

  • Molecular FormulaC21H27F3N4
  • Average mass392.461 Da
  • Monoisotopic mass392.218781 Da
  • ChemSpider ID24808291

More details:

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

2,4-Pyrimidinediamine, N2,N4-diethyl-6-methyl-5-[3-methyl-3-[4-(trifluoromethyl)phenyl]-1-buten-1-yl]- [ACD/Index Name]
N,N'-Diethyl-6-methyl-5-{3-methyl-3-[4-(trifluormethyl)phenyl]-1-buten-1-yl}-2,4-pyrimidindiamin [German] [ACD/IUPAC Name]
N,N'-Diethyl-6-methyl-5-{3-methyl-3-[4-(trifluoromethyl)phenyl]-1-buten-1-yl}-2,4-pyrimidinediamine [ACD/IUPAC Name]
N,N'-Diéthyl-6-méthyl-5-{3-méthyl-3-[4-(trifluorométhyl)phényl]-1-butén-1-yl}-2,4-pyrimidinediamine [French] [ACD/IUPAC Name]
Kinome_3739

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

Density: 1.2±0.1 g/cm3
Boiling Point: 500.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.9±3.0 kJ/mol
Flash Point: 256.2±32.9 °C
Index of Refraction: 1.574
Molar Refractivity: 109.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.74
ACD/LogD (pH 5.5): 3.53
ACD/BCF (pH 5.5): 87.06
ACD/KOC (pH 5.5): 211.00
ACD/LogD (pH 7.4): 5.07
ACD/BCF (pH 7.4): 3005.16
ACD/KOC (pH 7.4): 7283.52
Polar Surface Area: 50 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 39.3±3.0 dyne/cm
Molar Volume: 333.1±3.0 cm3

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