ChemSpider 2D Image | 1-{6-[3-(Methylsulfonyl)phenyl]-4-pyrimidinyl}-4-(2,4,5-trifluorophenyl)-3-pyrrolidinamine | C21H19F3N4O2S

1-{6-[3-(Methylsulfonyl)phenyl]-4-pyrimidinyl}-4-(2,4,5-trifluorophenyl)-3-pyrrolidinamine

  • Molecular FormulaC21H19F3N4O2S
  • Average mass448.461 Da
  • Monoisotopic mass448.118073 Da
  • ChemSpider ID22377032

More details:

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

1-{6-[3-(Methylsulfonyl)phenyl]-4-pyrimidinyl}-4-(2,4,5-trifluorophenyl)-3-pyrrolidinamine [ACD/IUPAC Name]
1-{6-[3-(Méthylsulfonyl)phényl]-4-pyrimidinyl}-4-(2,4,5-trifluorophényl)-3-pyrrolidinamine [French] [ACD/IUPAC Name]
1-{6-[3-(Methylsulfonyl)phenyl]-4-pyrimidinyl}-4-(2,4,5-trifluorphenyl)-3-pyrrolidinamin [German] [ACD/IUPAC Name]
1-{6-[3-(methylsulfonyl)phenyl]pyrimidin-4-yl}-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine
3-Pyrrolidinamine, 1-[6-[3-(methylsulfonyl)phenyl]-4-pyrimidinyl]-4-(2,4,5-trifluorophenyl)- [ACD/Index Name]
1-(6-(3-(methylsulfonyl)phenyl)pyrimidin-4-yl)-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine

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

Density: 1.4±0.1 g/cm3
Boiling Point: 649.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.8±3.0 kJ/mol
Flash Point: 346.8±31.5 °C
Index of Refraction: 1.596
Molar Refractivity: 109.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.58
ACD/LogD (pH 5.5): -0.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.43
ACD/LogD (pH 7.4): 1.67
ACD/BCF (pH 7.4): 8.52
ACD/KOC (pH 7.4): 119.32
Polar Surface Area: 98 Å2
Polarizability: 43.4±0.5 10-24cm3
Surface Tension: 51.8±3.0 dyne/cm
Molar Volume: 321.9±3.0 cm3

Click to predict properties on the Chemicalize site


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