ChemSpider 2D Image | (6S)-2-Amino-3,6-dimethyl-6-[(1R,2R)-2-phenylcyclopropyl]-5,6-dihydro-4(3H)-pyrimidinone | C15H19N3O

(6S)-2-Amino-3,6-dimethyl-6-[(1R,2R)-2-phenylcyclopropyl]-5,6-dihydro-4(3H)-pyrimidinone

  • Molecular FormulaC15H19N3O
  • Average mass257.331 Da
  • Monoisotopic mass257.152802 Da
  • ChemSpider ID30842742

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(6S)-2-Amino-3,6-dimethyl-6-[(1R,2R)-2-phenylcyclopropyl]-5,6-dihydro-4(3H)-pyrimidinon [German] [ACD/IUPAC Name]
(6S)-2-Amino-3,6-dimethyl-6-[(1R,2R)-2-phenylcyclopropyl]-5,6-dihydro-4(3H)-pyrimidinone [ACD/IUPAC Name]
(6S)-2-Amino-3,6-diméthyl-6-[(1R,2R)-2-phénylcyclopropyl]-5,6-dihydro-4(3H)-pyrimidinone [French] [ACD/IUPAC Name]
(6s)-2-Amino-3,6-Dimethyl-6-[(1r,2r)-2-Phenylcyclopropyl]-5,6-Dihydropyrimidin-4(3h)-One
4(3H)-Pyrimidinone, 2-amino-5,6-dihydro-3,6-dimethyl-6-[(1R,2R)-2-phenylcyclopropyl]-, (6S)- [ACD/Index Name]
0B4

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

Density: 1.3±0.1 g/cm3
Boiling Point: 399.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.0±3.0 kJ/mol
Flash Point: 195.5±28.7 °C
Index of Refraction: 1.654
Molar Refractivity: 74.0±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.44
ACD/LogD (pH 5.5): 0.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.49
ACD/LogD (pH 7.4): 1.13
ACD/BCF (pH 7.4): 4.21
ACD/KOC (pH 7.4): 95.75
Polar Surface Area: 59 Å2
Polarizability: 29.3±0.5 10-24cm3
Surface Tension: 49.7±7.0 dyne/cm
Molar Volume: 201.8±7.0 cm3

Click to predict properties on the Chemicalize site


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