ChemSpider 2D Image | 1-[4-(4-aminofuro[2,3-d]pyrimidin-5-yl)phenyl]-3-[3,5-bis(trifluoromethyl)phenyl]urea | C21H13F6N5O2

1-[4-(4-aminofuro[2,3-d]pyrimidin-5-yl)phenyl]-3-[3,5-bis(trifluoromethyl)phenyl]urea

  • Molecular FormulaC21H13F6N5O2
  • Average mass481.351 Da
  • Monoisotopic mass481.097351 Da
  • ChemSpider ID23307376

More details:

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

1-[4-(4-Aminofuro[2,3-d]pyrimidin-5-yl)phenyl]-3-[3,5-bis(trifluormethyl)phenyl]harnstoff [German] [ACD/IUPAC Name]
1-[4-(4-aminofuro[2,3-d]pyrimidin-5-yl)phenyl]-3-[3,5-bis(trifluoromethyl)phenyl]urea [ACD/IUPAC Name]
1-[4-(4-Aminofuro[2,3-d]pyrimidin-5-yl)phényl]-3-[3,5-bis(trifluorométhyl)phényl]urée [French] [ACD/IUPAC Name]
urea, N-[4-(4-aminofuro[2,3-d]pyrimidin-5-yl)phenyl]-N'-[3,5-bis(trifluoromethyl)phenyl]- [ACD/Index Name]
1-(3,5-bis(trifluoromethyl)phenyl)-3-(4-(4-aminofuro[2,3-d]pyrimidin-5-yl)phenyl)urea
3-(4-{4-aminofuro[2,3-d]pyrimidin-5-yl}phenyl)-1-[3,5-bis(trifluoromethyl)phenyl]urea
4-amino-5-diarylurea-furo[2,3-d]pyrimidine 8b
GW795486X
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL396107/

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

Density: 1.6±0.1 g/cm3
Boiling Point: 475.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.9±3.0 kJ/mol
Flash Point: 241.2±28.7 °C
Index of Refraction: 1.635
Molar Refractivity: 110.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.94
ACD/LogD (pH 5.5): 4.89
ACD/BCF (pH 5.5): 2719.60
ACD/KOC (pH 5.5): 8674.83
ACD/LogD (pH 7.4): 5.10
ACD/BCF (pH 7.4): 4448.44
ACD/KOC (pH 7.4): 14189.37
Polar Surface Area: 106 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 51.7±3.0 dyne/cm
Molar Volume: 307.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement