ChemSpider 2D Image | 2-Amino-3-methyl-6-[(1S,2R)-2-(3'-methyl-4-biphenylyl)cyclopropyl]-4(3H)-pyrimidinone | C21H21N3O

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

  • Molecular FormulaC21H21N3O
  • Average mass331.411 Da
  • Monoisotopic mass331.168457 Da
  • ChemSpider ID28640354
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

2-Amino-3-methyl-6-[(1S,2R)-2-(3'-methyl-4-biphenylyl)cyclopropyl]-4(3H)-pyrimidinon [German] [ACD/IUPAC Name]
2-Amino-3-methyl-6-[(1S,2R)-2-(3'-methyl-4-biphenylyl)cyclopropyl]-4(3H)-pyrimidinone [ACD/IUPAC Name]
2-Amino-3-méthyl-6-[(1S,2R)-2-(3'-méthyl-4-biphénylyl)cyclopropyl]-4(3H)-pyrimidinone [French] [ACD/IUPAC Name]
2-Amino-3-Methyl-6-[(1s,2r)-2-(3'-Methylbiphenyl-4-Yl)cyclopropyl]pyrimidin-4(3h)-One
4(3H)-Pyrimidinone, 2-amino-3-methyl-6-[(1S,2R)-2-(3'-methyl[1,1'-biphenyl]-4-yl)cyclopropyl]- [ACD/Index Name]
B02

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

Density: 1.3±0.1 g/cm3
Boiling Point: 501.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.0±3.0 kJ/mol
Flash Point: 256.8±32.9 °C
Index of Refraction: 1.668
Molar Refractivity: 98.5±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.17
ACD/LogD (pH 5.5): 2.71
ACD/BCF (pH 5.5): 67.08
ACD/KOC (pH 5.5): 702.51
ACD/LogD (pH 7.4): 2.72
ACD/BCF (pH 7.4): 68.41
ACD/KOC (pH 7.4): 716.39
Polar Surface Area: 59 Å2
Polarizability: 39.1±0.5 10-24cm3
Surface Tension: 48.5±7.0 dyne/cm
Molar Volume: 264.3±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement