ChemSpider 2D Image | N-{3-[(4S)-2-Amino-1,4-dimethyl-6-oxo-1,4,5,6-tetrahydro-4-pyrimidinyl]phenyl}-5-(2,2,2-trifluoroethoxy)-2-pyridinecarboxamide | C20H20F3N5O3

N-{3-[(4S)-2-Amino-1,4-dimethyl-6-oxo-1,4,5,6-tetrahydro-4-pyrimidinyl]phenyl}-5-(2,2,2-trifluoroethoxy)-2-pyridinecarboxamide

  • Molecular FormulaC20H20F3N5O3
  • Average mass435.400 Da
  • Monoisotopic mass435.151825 Da
  • ChemSpider ID35034601
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

2-Pyridinecarboxamide, N-[3-[(4S)-2-amino-1,4,5,6-tetrahydro-1,4-dimethyl-6-oxo-4-pyrimidinyl]phenyl]-5-(2,2,2-trifluoroethoxy)- [ACD/Index Name]
5-(2,2,2-Trifluoro-Ethoxy)-Pyridine-2-Carboxylic Acid [3-((S)-2-Amino-1,4-Dimethyl-6-Oxo-1,4,5,6-Tetrahydro-Pyrimidin-4-Yl)-Phenyl]-Amide
N-{3-[(4S)-2-Amino-1,4-dimethyl-6-oxo-1,4,5,6-tetrahydro-4-pyrimidinyl]phenyl}-5-(2,2,2-trifluorethoxy)-2-pyridincarboxamid [German] [ACD/IUPAC Name]
N-{3-[(4S)-2-Amino-1,4-dimethyl-6-oxo-1,4,5,6-tetrahydro-4-pyrimidinyl]phenyl}-5-(2,2,2-trifluoroethoxy)-2-pyridinecarboxamide [ACD/IUPAC Name]
N-{3-[(4S)-2-Amino-1,4-diméthyl-6-oxo-1,4,5,6-tétrahydro-4-pyrimidinyl]phényl}-5-(2,2,2-trifluoroéthoxy)-2-pyridinecarboxamide [French] [ACD/IUPAC Name]
WZV

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.598
Molar Refractivity: 105.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.63
ACD/LogD (pH 5.5): -0.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.78
ACD/LogD (pH 7.4): 0.74
ACD/BCF (pH 7.4): 1.72
ACD/KOC (pH 7.4): 39.37
Polar Surface Area: 110 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 46.7±7.0 dyne/cm
Molar Volume: 309.2±7.0 cm3

Click to predict properties on the Chemicalize site






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