ChemSpider 2D Image | 5-Fluoro-6-methyl-N-[4-(methylsulfanyl)phenyl]-4-pyrimidinamine | C12H12FN3S

5-Fluoro-6-methyl-N-[4-(methylsulfanyl)phenyl]-4-pyrimidinamine

  • Molecular FormulaC12H12FN3S
  • Average mass249.307 Da
  • Monoisotopic mass249.073593 Da
  • ChemSpider ID81408836

More details:

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

4-Pyrimidinamine, 5-fluoro-6-methyl-N-[4-(methylthio)phenyl]- [ACD/Index Name]
5-Fluor-6-methyl-N-[4-(methylsulfanyl)phenyl]-4-pyrimidinamin [German] [ACD/IUPAC Name]
5-Fluoro-6-methyl-N-[4-(methylsulfanyl)phenyl]-4-pyrimidinamine [ACD/IUPAC Name]
5-Fluoro-6-méthyl-N-[4-(méthylsulfanyl)phényl]-4-pyrimidinamine [French] [ACD/IUPAC Name]
2415523-94-1 [RN]
5-fluoro-6-methyl-N-[4-(methylsulfanyl)phenyl]pyrimidin-4-amine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 374.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.1±3.0 kJ/mol
Flash Point: 180.0±27.9 °C
Index of Refraction: 1.617
Molar Refractivity: 68.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.74
ACD/LogD (pH 5.5): 3.54
ACD/BCF (pH 5.5): 287.74
ACD/KOC (pH 5.5): 1985.32
ACD/LogD (pH 7.4): 3.56
ACD/BCF (pH 7.4): 296.93
ACD/KOC (pH 7.4): 2048.73
Polar Surface Area: 63 Å2
Polarizability: 27.0±0.5 10-24cm3
Surface Tension: 56.4±5.0 dyne/cm
Molar Volume: 194.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement