ChemSpider 2D Image | 2-Amino-6-[(1S,2R)-2-(3'-methoxy-3-biphenylyl)cyclopropyl]-3-methyl-4(3H)-pyrimidinone | C21H21N3O2

2-Amino-6-[(1S,2R)-2-(3'-methoxy-3-biphenylyl)cyclopropyl]-3-methyl-4(3H)-pyrimidinone

  • Molecular FormulaC21H21N3O2
  • Average mass347.410 Da
  • Monoisotopic mass347.163391 Da
  • ChemSpider ID28644361
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

2-Amino-6-[(1S,2R)-2-(3'-methoxy-3-biphenylyl)cyclopropyl]-3-methyl-4(3H)-pyrimidinon [German] [ACD/IUPAC Name]
2-Amino-6-[(1S,2R)-2-(3'-methoxy-3-biphenylyl)cyclopropyl]-3-methyl-4(3H)-pyrimidinone [ACD/IUPAC Name]
2-Amino-6-[(1S,2R)-2-(3'-méthoxy-3-biphénylyl)cyclopropyl]-3-méthyl-4(3H)-pyrimidinone [French] [ACD/IUPAC Name]
2-Amino-6-[(1s,2r)-2-(3'-Methoxybiphenyl-3-Yl)cyclopropyl]-3-Methylpyrimidin-4(3h)-One
4(3H)-Pyrimidinone, 2-amino-6-[(1S,2R)-2-(3'-methoxy[1,1'-biphenyl]-3-yl)cyclopropyl]-3-methyl- [ACD/Index Name]
0B1

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

Density: 1.3±0.1 g/cm3
Boiling Point: 527.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.3±3.0 kJ/mol
Flash Point: 273.0±32.9 °C
Index of Refraction: 1.660
Molar Refractivity: 99.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.47
ACD/LogD (pH 5.5): 2.06
ACD/BCF (pH 5.5): 21.56
ACD/KOC (pH 5.5): 311.72
ACD/LogD (pH 7.4): 2.07
ACD/BCF (pH 7.4): 21.98
ACD/KOC (pH 7.4): 317.87
Polar Surface Area: 68 Å2
Polarizability: 39.6±0.5 10-24cm3
Surface Tension: 49.1±7.0 dyne/cm
Molar Volume: 270.8±7.0 cm3

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