ChemSpider 2D Image | 5-Bromo-6-ethyl-N-{1-[4-(4-fluorophenoxy)phenyl]propyl}-2-methyl-4-pyrimidinamine | C22H23BrFN3O

5-Bromo-6-ethyl-N-{1-[4-(4-fluorophenoxy)phenyl]propyl}-2-methyl-4-pyrimidinamine

  • Molecular FormulaC22H23BrFN3O
  • Average mass444.340 Da
  • Monoisotopic mass443.100861 Da
  • ChemSpider ID23303374

More details:

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

4-pyrimidinamine, 5-bromo-6-ethyl-N-[1-[4-(4-fluorophenoxy)phenyl]propyl]-2-methyl- [ACD/Index Name]
5-Brom-6-ethyl-N-{1-[4-(4-fluorphenoxy)phenyl]propyl}-2-methyl-4-pyrimidinamin [German] [ACD/IUPAC Name]
5-Bromo-6-ethyl-N-{1-[4-(4-fluorophenoxy)phenyl]propyl}-2-methyl-4-pyrimidinamine [ACD/IUPAC Name]
5-Bromo-6-éthyl-N-{1-[4-(4-fluorophénoxy)phényl]propyl}-2-méthyl-4-pyrimidinamine [French] [ACD/IUPAC Name]
5-bromo-6-ethyl-N-{1-[4-(4-fluorophenoxy)phenyl]propyl}-2-methylpyrimidin-4-amine
5-bromo-6-ethyl-N-(1-(4-(4-fluorophenoxy)phenyl)propyl)-2-methylpyrimidin-4-amine
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL429273/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 520.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.3±3.0 kJ/mol
Flash Point: 268.5±30.1 °C
Index of Refraction: 1.610
Molar Refractivity: 114.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 7.42
ACD/LogD (pH 5.5): 5.93
ACD/BCF (pH 5.5): 14773.95
ACD/KOC (pH 5.5): 24906.50
ACD/LogD (pH 7.4): 6.38
ACD/BCF (pH 7.4): 41312.34
ACD/KOC (pH 7.4): 69645.97
Polar Surface Area: 47 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 47.9±3.0 dyne/cm
Molar Volume: 329.9±3.0 cm3

Click to predict properties on the Chemicalize site


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