ChemSpider 2D Image | 1-(3,4-Dimethylphenyl)-3-[4-({2-methyl-6-[(4-methylphenyl)amino]-4-pyrimidinyl}amino)phenyl]urea | C27H28N6O

1-(3,4-Dimethylphenyl)-3-[4-({2-methyl-6-[(4-methylphenyl)amino]-4-pyrimidinyl}amino)phenyl]urea

  • Molecular FormulaC27H28N6O
  • Average mass452.551 Da
  • Monoisotopic mass452.232452 Da
  • ChemSpider ID22952580

More details:

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

1-(3,4-Dimethylphenyl)-3-[4-({2-methyl-6-[(4-methylphenyl)amino]-4-pyrimidinyl}amino)phenyl]harnstoff [German] [ACD/IUPAC Name]
1-(3,4-Dimethylphenyl)-3-[4-({2-methyl-6-[(4-methylphenyl)amino]-4-pyrimidinyl}amino)phenyl]urea [ACD/IUPAC Name]
1-(3,4-Diméthylphényl)-3-[4-({2-méthyl-6-[(4-méthylphényl)amino]-4-pyrimidinyl}amino)phényl]urée [French] [ACD/IUPAC Name]
Urea, N-(3,4-dimethylphenyl)-N'-[4-[[2-methyl-6-[(4-methylphenyl)amino]-4-pyrimidinyl]amino]phenyl]- [ACD/Index Name]
1-(3,4-dimethylphenyl)-3-(4-((2-methyl-6-(p-tolylamino)pyrimidin-4-yl)amino)phenyl)urea

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

Density: 1.3±0.1 g/cm3
Boiling Point: 581.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.0±3.0 kJ/mol
Flash Point: 305.7±30.1 °C
Index of Refraction: 1.718
Molar Refractivity: 139.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.62
ACD/LogD (pH 5.5): 5.41
ACD/BCF (pH 5.5): 5182.63
ACD/KOC (pH 5.5): 10027.99
ACD/LogD (pH 7.4): 6.09
ACD/BCF (pH 7.4): 24768.27
ACD/KOC (pH 7.4): 47924.67
Polar Surface Area: 91 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 61.8±3.0 dyne/cm
Molar Volume: 353.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement