ChemSpider 2D Image | 4-{4-Methyl-2-[methyl(2-methylphenyl)amino]-1,3-thiazol-5-yl}-N-(3-methylphenyl)-2-pyrimidinamine | C23H23N5S

4-{4-Methyl-2-[methyl(2-methylphenyl)amino]-1,3-thiazol-5-yl}-N-(3-methylphenyl)-2-pyrimidinamine

  • Molecular FormulaC23H23N5S
  • Average mass401.527 Da
  • Monoisotopic mass401.167419 Da
  • ChemSpider ID30656478

More details:

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

2-Pyrimidinamine, 4-[4-methyl-2-[methyl(2-methylphenyl)amino]-5-thiazolyl]-N-(3-methylphenyl)- [ACD/Index Name]
4-{4-Methyl-2-[methyl(2-methylphenyl)amino]-1,3-thiazol-5-yl}-N-(3-methylphenyl)-2-pyrimidinamin [German] [ACD/IUPAC Name]
4-{4-Methyl-2-[methyl(2-methylphenyl)amino]-1,3-thiazol-5-yl}-N-(3-methylphenyl)-2-pyrimidinamine [ACD/IUPAC Name]
4-{4-Méthyl-2-[méthyl(2-méthylphényl)amino]-1,3-thiazol-5-yl}-N-(3-méthylphényl)-2-pyrimidinamine [French] [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: 589.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 87.9±3.0 kJ/mol
Flash Point: 310.1±32.9 °C
Index of Refraction: 1.675
Molar Refractivity: 121.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.13
ACD/LogD (pH 5.5): 5.30
ACD/BCF (pH 5.5): 6288.19
ACD/KOC (pH 5.5): 18214.93
ACD/LogD (pH 7.4): 5.30
ACD/BCF (pH 7.4): 6295.65
ACD/KOC (pH 7.4): 18236.56
Polar Surface Area: 82 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 57.2±3.0 dyne/cm
Molar Volume: 323.3±3.0 cm3

Click to predict properties on the Chemicalize site


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