ChemSpider 2D Image | 1-[(3S,4S)-4-Amino-1-(6-phenyl-4-pyrimidinyl)-3-pyrrolidinyl]-2-piperidinone | C19H23N5O

1-[(3S,4S)-4-Amino-1-(6-phenyl-4-pyrimidinyl)-3-pyrrolidinyl]-2-piperidinone

  • Molecular FormulaC19H23N5O
  • Average mass337.419 Da
  • Monoisotopic mass337.190247 Da
  • ChemSpider ID35034150

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-[(3S,4S)-4-Amino-1-(6-phenyl-4-pyrimidinyl)-3-pyrrolidinyl]-2-piperidinon [German] [ACD/IUPAC Name]
1-[(3S,4S)-4-Amino-1-(6-phenyl-4-pyrimidinyl)-3-pyrrolidinyl]-2-piperidinone [ACD/IUPAC Name]
1-[(3S,4S)-4-Amino-1-(6-phényl-4-pyrimidinyl)-3-pyrrolidinyl]-2-pipéridinone [French] [ACD/IUPAC Name]
1-[(3s,4s)-4-Amino-1-(6-Phenylpyrimidin-4-Yl)pyrrolidin-3-Yl]piperidin-2-One
2-Piperidinone, 1-[(3S,4S)-4-amino-1-(6-phenyl-4-pyrimidinyl)-3-pyrrolidinyl]- [ACD/Index Name]
NXZ

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

Density: 1.2±0.1 g/cm3
Boiling Point: 606.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.1±3.0 kJ/mol
Flash Point: 320.3±31.5 °C
Index of Refraction: 1.623
Molar Refractivity: 95.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.04
ACD/LogD (pH 5.5): -0.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.77
ACD/LogD (pH 7.4): 1.16
ACD/BCF (pH 7.4): 4.15
ACD/KOC (pH 7.4): 88.93
Polar Surface Area: 75 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 59.3±3.0 dyne/cm
Molar Volume: 270.9±3.0 cm3

Click to predict properties on the Chemicalize site


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