ChemSpider 2D Image | 2-{[(2S)-1-Hydroxy-2-propanyl]amino}-N-{[2-(trifluoromethyl)-5-pyrimidinyl]methyl}-5,8-dihydropyrido[3,4-d]pyrimidine-7(6H)-carboxamide | C17H20F3N7O2

2-{[(2S)-1-Hydroxy-2-propanyl]amino}-N-{[2-(trifluoromethyl)-5-pyrimidinyl]methyl}-5,8-dihydropyrido[3,4-d]pyrimidine-7(6H)-carboxamide

  • Molecular FormulaC17H20F3N7O2
  • Average mass411.382 Da
  • Monoisotopic mass411.163055 Da
  • ChemSpider ID76775924

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-{[(2S)-1-Hydroxy-2-propanyl]amino}-N-{[2-(trifluormethyl)-5-pyrimidinyl]methyl}-5,8-dihydropyrido[3,4-d]pyrimidin-7(6H)-carboxamid [German] [ACD/IUPAC Name]
2-{[(2S)-1-Hydroxy-2-propanyl]amino}-N-{[2-(trifluoromethyl)-5-pyrimidinyl]methyl}-5,8-dihydropyrido[3,4-d]pyrimidine-7(6H)-carboxamide [ACD/IUPAC Name]
2-{[(2S)-1-Hydroxy-2-propanyl]amino}-N-{[2-(trifluorométhyl)-5-pyrimidinyl]méthyl}-5,8-dihydropyrido[3,4-d]pyrimidine-7(6H)-carboxamide [French] [ACD/IUPAC Name]
Pyrido[3,4-d]pyrimidine-7(6H)-carboxamide, 5,8-dihydro-2-[[(1S)-2-hydroxy-1-methylethyl]amino]-N-[[2-(trifluoromethyl)-5-pyrimidinyl]methyl]- [ACD/Index Name]

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: 1.597
Molar Refractivity: 97.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.65
ACD/LogD (pH 5.5): 0.51
ACD/BCF (pH 5.5): 1.43
ACD/KOC (pH 5.5): 44.55
ACD/LogD (pH 7.4): 0.53
ACD/BCF (pH 7.4): 1.49
ACD/KOC (pH 7.4): 46.29
Polar Surface Area: 116 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 66.1±3.0 dyne/cm
Molar Volume: 284.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement