ChemSpider 2D Image | N~4~-[(1R,2R)-2-(Dimethylamino)cyclopentyl]-N~2~-{4-[(methylamino)(methylene)oxido-lambda~6~-sulfanyl]phenyl}-5-(trifluoromethyl)-2,4-pyrimidinediamine | C20H27F3N6OS

N4-[(1R,2R)-2-(Dimethylamino)cyclopentyl]-N2-{4-[(methylamino)(methylene)oxido-λ6-sulfanyl]phenyl}-5-(trifluoromethyl)-2,4-pyrimidinediamine

  • Molecular FormulaC20H27F3N6OS
  • Average mass456.528 Da
  • Monoisotopic mass456.191925 Da
  • ChemSpider ID34946136

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

N4-[(1R,2R)-2-(Dimethylamino)cyclopentyl]-N2-{4-[(methylamino)(methylen)oxido-λ6-sulfanyl]phenyl}-5-(trifluormethyl)-2,4-pyrimidindiamin [German] [ACD/IUPAC Name]
N4-[(1R,2R)-2-(Dimethylamino)cyclopentyl]-N2-{4-[(methylamino)(methylene)oxido-λ6-sulfanyl]phenyl}-5-(trifluoromethyl)-2,4-pyrimidinediamine [ACD/IUPAC Name]
N4-[(1R,2R)-2-(Diméthylamino)cyclopentyl]-N2-{4-[(méthylamino)(méthylène)oxydo-λ6-sulfanyl]phényl}-5-(trifluorométhyl)-2,4-pyrimidinediamine [French] [ACD/IUPAC Name]
Sulfur, [4-[[4-[[(1R,2R)-2-(dimethylamino)cyclopentyl]amino]-5-(trifluoromethyl)-2-pyrimidinyl]amino]phenyl](methylamino)methyleneoxo- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 609.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.6±3.0 kJ/mol
Flash Point: 322.5±34.3 °C
Index of Refraction: 1.585
Molar Refractivity: 114.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.19
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 91 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 53.5±5.0 dyne/cm
Molar Volume: 342.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement