ChemSpider 2D Image | (6S)-2-Amino-6-[2-(3'-methoxy-3-biphenylyl)ethyl]-3,6-dimethyl-5,6-dihydro-4(3H)-pyrimidinone | C21H25N3O2

(6S)-2-Amino-6-[2-(3'-methoxy-3-biphenylyl)ethyl]-3,6-dimethyl-5,6-dihydro-4(3H)-pyrimidinone

  • Molecular FormulaC21H25N3O2
  • Average mass351.442 Da
  • Monoisotopic mass351.194672 Da
  • ChemSpider ID23298353
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(6S)-2-Amino-6-[2-(3'-methoxy-3-biphenylyl)ethyl]-3,6-dimethyl-5,6-dihydro-4(3H)-pyrimidinon [German] [ACD/IUPAC Name]
(6S)-2-Amino-6-[2-(3'-methoxy-3-biphenylyl)ethyl]-3,6-dimethyl-5,6-dihydro-4(3H)-pyrimidinone [ACD/IUPAC Name]
(6S)-2-Amino-6-[2-(3'-méthoxy-3-biphénylyl)éthyl]-3,6-diméthyl-5,6-dihydro-4(3H)-pyrimidinone [French] [ACD/IUPAC Name]
(6S)-2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one
4(3H)-Pyrimidinone, 2-amino-5,6-dihydro-6-[2-(3'-methoxy[1,1'-biphenyl]-3-yl)ethyl]-3,6-dimethyl-, (6S)- [ACD/Index Name]
(S)-2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-3,6-dimethyl-5,6-dihydro-3H-pyrimidin-4-one
CHEMBL239641

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

Density: 1.2±0.1 g/cm3
Boiling Point: 505.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.6±3.0 kJ/mol
Flash Point: 259.7±27.9 °C
Index of Refraction: 1.592
Molar Refractivity: 102.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.17
ACD/LogD (pH 5.5): 2.31
ACD/BCF (pH 5.5): 22.76
ACD/KOC (pH 5.5): 205.30
ACD/LogD (pH 7.4): 2.99
ACD/BCF (pH 7.4): 109.86
ACD/KOC (pH 7.4): 990.82
Polar Surface Area: 68 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 43.2±7.0 dyne/cm
Molar Volume: 303.8±7.0 cm3

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