Found 1 result

Search term: COc1cccc(c1)-c1cccc(c1)[C@]1(C)CC(=O)N(C)C(N)=N1 (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | (6S)-2-Amino-6-(3'-methoxy-3-biphenylyl)-3,6-dimethyl-5,6-dihydro-4(3H)-pyrimidinone | C19H21N3O2

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

  • Molecular FormulaC19H21N3O2
  • Average mass323.389 Da
  • Monoisotopic mass323.163391 Da
  • ChemSpider ID25059203

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(6S)-2-Amino-6-(3'-methoxy-3-biphenylyl)-3,6-dimethyl-5,6-dihydro-4(3H)-pyrimidinon [German] [ACD/IUPAC Name]
(6S)-2-Amino-6-(3'-methoxy-3-biphenylyl)-3,6-dimethyl-5,6-dihydro-4(3H)-pyrimidinone [ACD/IUPAC Name]
(6S)-2-Amino-6-(3'-méthoxy-3-biphénylyl)-3,6-diméthyl-5,6-dihydro-4(3H)-pyrimidinone [French] [ACD/IUPAC Name]
(6S)-2-amino-6-(3'-methoxybiphenyl-3-yl)-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one
4(3H)-Pyrimidinone, 2-amino-5,6-dihydro-6-(3'-methoxy[1,1'-biphenyl]-3-yl)-3,6-dimethyl-, (6S)- [ACD/Index Name]
(6S)-2-amino-6-[3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-3,4,5,6-tetrahydropyrimidin-4-one
(6S)-2-amino-6-[3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
H24

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

Density: 1.2±0.1 g/cm3
Boiling Point: 503.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.3±3.0 kJ/mol
Flash Point: 258.3±32.9 °C
Index of Refraction: 1.605
Molar Refractivity: 93.6±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.32
ACD/LogD (pH 5.5): 0.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.49
ACD/LogD (pH 7.4): 2.00
ACD/BCF (pH 7.4): 15.13
ACD/KOC (pH 7.4): 181.05
Polar Surface Area: 68 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 44.5±7.0 dyne/cm
Molar Volume: 271.7±7.0 cm3

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