ChemSpider 2D Image | 2-[(trans-4-Aminocyclohexyl)amino]-4-{[3-(trifluoromethyl)phenyl]amino}pyrido[4,3-d]pyrimidin-5(6H)-one | C20H21F3N6O

2-[(trans-4-Aminocyclohexyl)amino]-4-{[3-(trifluoromethyl)phenyl]amino}pyrido[4,3-d]pyrimidin-5(6H)-one

  • Molecular FormulaC20H21F3N6O
  • Average mass418.415 Da
  • Monoisotopic mass418.172882 Da
  • ChemSpider ID35033682

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-[(trans-4-Aminocyclohexyl)amino]-4-{[3-(trifluormethyl)phenyl]amino}pyrido[4,3-d]pyrimidin-5(6H)-on [German] [ACD/IUPAC Name]
2-[(trans-4-Aminocyclohexyl)amino]-4-{[3-(trifluoromethyl)phenyl]amino}pyrido[4,3-d]pyrimidin-5(6H)-one [ACD/IUPAC Name]
2-[(trans-4-Aminocyclohexyl)amino]-4-{[3-(trifluorométhyl)phényl]amino}pyrido[4,3-d]pyrimidin-5(6H)-one [French] [ACD/IUPAC Name]
Pyrido[4,3-d]pyrimidin-5(6H)-one, 2-[(trans-4-aminocyclohexyl)amino]-4-[[3-(trifluoromethyl)phenyl]amino]- [ACD/Index Name]
1N6

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.633
Molar Refractivity: 106.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 1.50
ACD/LogD (pH 5.5): -0.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.11
Polar Surface Area: 105 Å2
Polarizability: 42.1±0.5 10-24cm3
Surface Tension: 60.5±3.0 dyne/cm
Molar Volume: 297.6±3.0 cm3

Click to predict properties on the Chemicalize site


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