ChemSpider 2D Image | 1-[4-(4-Amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(2,5-dimethylphenyl)urea | C22H21N5OS

1-[4-(4-Amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(2,5-dimethylphenyl)urea

  • Molecular FormulaC22H21N5OS
  • Average mass403.500 Da
  • Monoisotopic mass403.146667 Da
  • ChemSpider ID24809042

More details:

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

1-[4-(4-Amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(2,5-dimethylphenyl)harnstoff [German] [ACD/IUPAC Name]
1-[4-(4-Amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(2,5-dimethylphenyl)urea [ACD/IUPAC Name]
1-[4-(4-Amino-6-méthylthiéno[2,3-d]pyrimidin-5-yl)phényl]-3-(2,5-diméthylphényl)urée [French] [ACD/IUPAC Name]
Urea, N-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-N'-(2,5-dimethylphenyl)- [ACD/Index Name]
Kinome_622

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

Density: 1.4±0.1 g/cm3
Boiling Point: 538.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.6±3.0 kJ/mol
Flash Point: 279.7±30.1 °C
Index of Refraction: 1.751
Molar Refractivity: 120.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.33
ACD/LogD (pH 5.5): 4.02
ACD/BCF (pH 5.5): 497.30
ACD/KOC (pH 5.5): 2096.00
ACD/LogD (pH 7.4): 4.53
ACD/BCF (pH 7.4): 1633.21
ACD/KOC (pH 7.4): 6883.59
Polar Surface Area: 121 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 68.7±3.0 dyne/cm
Molar Volume: 296.3±3.0 cm3

Click to predict properties on the Chemicalize site


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