ChemSpider 2D Image | (3R,4S)-1-[6-(6-Methoxy-3-pyridinyl)-4-pyrimidinyl]-4-(2,4,5-trifluorophenyl)-3-pyrrolidinamine | C20H18F3N5O

(3R,4S)-1-[6-(6-Methoxy-3-pyridinyl)-4-pyrimidinyl]-4-(2,4,5-trifluorophenyl)-3-pyrrolidinamine

  • Molecular FormulaC20H18F3N5O
  • Average mass401.385 Da
  • Monoisotopic mass401.146332 Da
  • ChemSpider ID23295565

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4S)-1-[6-(6-Methoxy-3-pyridinyl)-4-pyrimidinyl]-4-(2,4,5-trifluorophenyl)-3-pyrrolidinamine [ACD/IUPAC Name]
(3R,4S)-1-[6-(6-Méthoxy-3-pyridinyl)-4-pyrimidinyl]-4-(2,4,5-trifluorophényl)-3-pyrrolidinamine [French] [ACD/IUPAC Name]
(3R,4S)-1-[6-(6-Methoxy-3-pyridinyl)-4-pyrimidinyl]-4-(2,4,5-trifluorphenyl)-3-pyrrolidinamin [German] [ACD/IUPAC Name]
(3R,4S)-1-[6-(6-methoxypyridin-3-yl)pyrimidin-4-yl]-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine
3-Pyrrolidinamine, 1-[6-(6-methoxy-3-pyridinyl)-4-pyrimidinyl]-4-(2,4,5-trifluorophenyl)-, (3R,4S)- [ACD/Index Name]
(3R,4S)-1-(6-(6-methoxypyridin-3-yl)pyrimidin-4-yl)-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine
CHEMBL237786
PZF

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

Density: 1.4±0.1 g/cm3
Boiling Point: 544.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.3±3.0 kJ/mol
Flash Point: 283.0±30.1 °C
Index of Refraction: 1.587
Molar Refractivity: 100.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.48
ACD/LogD (pH 5.5): -0.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.40
ACD/LogD (pH 7.4): 1.59
ACD/BCF (pH 7.4): 7.47
ACD/KOC (pH 7.4): 110.39
Polar Surface Area: 77 Å2
Polarizability: 39.6±0.5 10-24cm3
Surface Tension: 52.3±3.0 dyne/cm
Molar Volume: 297.3±3.0 cm3

Click to predict properties on the Chemicalize site


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