ChemSpider 2D Image | 1-(2,5-Dimethoxyphenyl)-3-(2-{[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-methyl-4-pyrimidinyl]amino}ethyl)urea | C21H27N7O3

1-(2,5-Dimethoxyphenyl)-3-(2-{[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-methyl-4-pyrimidinyl]amino}ethyl)urea

  • Molecular FormulaC21H27N7O3
  • Average mass425.484 Da
  • Monoisotopic mass425.217529 Da
  • ChemSpider ID26291879

More details:

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

1-(2,5-Dimethoxyphenyl)-3-(2-{[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-methyl-4-pyrimidinyl]amino}ethyl)harnstoff [German] [ACD/IUPAC Name]
1-(2,5-Dimethoxyphenyl)-3-(2-{[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-methyl-4-pyrimidinyl]amino}ethyl)urea [ACD/IUPAC Name]
1-(2,5-Diméthoxyphényl)-3-(2-{[6-(3,5-diméthyl-1H-pyrazol-1-yl)-2-méthyl-4-pyrimidinyl]amino}éthyl)urée [French] [ACD/IUPAC Name]
Urea, N-(2,5-dimethoxyphenyl)-N'-[2-[[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-methyl-4-pyrimidinyl]amino]ethyl]- [ACD/Index Name]
1-(2,5-dimethoxyphenyl)-3-(2-((6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpyrimidin-4-yl)amino)ethyl)urea
1-(2,5-dimethoxyphenyl)-3-(2-{[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpyrimidin-4-yl]amino}ethyl)urea
1170554-58-1 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 629.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.1±3.0 kJ/mol
Flash Point: 334.3±31.5 °C
Index of Refraction: 1.625
Molar Refractivity: 116.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.79
ACD/LogD (pH 5.5): 3.27
ACD/BCF (pH 5.5): 162.17
ACD/KOC (pH 5.5): 1186.31
ACD/LogD (pH 7.4): 3.44
ACD/BCF (pH 7.4): 240.32
ACD/KOC (pH 7.4): 1757.95
Polar Surface Area: 115 Å2
Polarizability: 46.3±0.5 10-24cm3
Surface Tension: 46.2±7.0 dyne/cm
Molar Volume: 329.8±7.0 cm3

Click to predict properties on the Chemicalize site


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