ChemSpider 2D Image | 4-(2-Anilino-5-methyl-4-pyrimidinyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide | C24H23N5O2

4-(2-Anilino-5-methyl-4-pyrimidinyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide

  • Molecular FormulaC24H23N5O2
  • Average mass413.472 Da
  • Monoisotopic mass413.185181 Da
  • ChemSpider ID24628419

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Pyrrole-2-carboxamide, N-[(1S)-2-hydroxy-1-phenylethyl]-4-[5-methyl-2-(phenylamino)-4-pyrimidinyl]- [ACD/Index Name]
4-(2-Anilino-5-methyl-4-pyrimidinyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrol-2-carboxamid [German] [ACD/IUPAC Name]
4-(2-Anilino-5-methyl-4-pyrimidinyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide [ACD/IUPAC Name]
4-(2-Anilino-5-méthyl-4-pyrimidinyl)-N-[(1S)-2-hydroxy-1-phényléthyl]-1H-pyrrole-2-carboxamide [French] [ACD/IUPAC Name]
N-[(1s)-2-Hydroxy-1-Phenylethyl]-4-[5-Methyl-2-(Phenylamino)pyrimidin-4-Yl]-1h-Pyrrole-2-Carboxamide
pyrimidylpyrrole, 2
Z48

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.679
Molar Refractivity: 119.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.98
ACD/LogD (pH 5.5): 3.42
ACD/BCF (pH 5.5): 231.89
ACD/KOC (pH 5.5): 1708.65
ACD/LogD (pH 7.4): 3.42
ACD/BCF (pH 7.4): 235.66
ACD/KOC (pH 7.4): 1736.47
Polar Surface Area: 103 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 64.5±3.0 dyne/cm
Molar Volume: 317.6±3.0 cm3

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