ChemSpider 2D Image | 5-Chloro-1-[(1R)-1-cyclopropyl-2-methoxyethyl]-3-[(2,4-dimethoxy-6-methyl-5-pyrimidinyl)amino]-2(1H)-pyrazinone | C17H22ClN5O4

5-Chloro-1-[(1R)-1-cyclopropyl-2-methoxyethyl]-3-[(2,4-dimethoxy-6-methyl-5-pyrimidinyl)amino]-2(1H)-pyrazinone

  • Molecular FormulaC17H22ClN5O4
  • Average mass395.841 Da
  • Monoisotopic mass395.136017 Da
  • ChemSpider ID24679877

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2(1H)-Pyrazinone, 5-chloro-1-[(1R)-1-cyclopropyl-2-methoxyethyl]-3-[(2,4-dimethoxy-6-methyl-5-pyrimidinyl)amino]- [ACD/Index Name]
5-Chlor-1-[(1R)-1-cyclopropyl-2-methoxyethyl]-3-[(2,4-dimethoxy-6-methyl-5-pyrimidinyl)amino]-2(1H)-pyrazinon [German] [ACD/IUPAC Name]
5-Chloro-1-[(1R)-1-cyclopropyl-2-methoxyethyl]-3-[(2,4-dimethoxy-6-methyl-5-pyrimidinyl)amino]-2(1H)-pyrazinone [ACD/IUPAC Name]
5-Chloro-1-[(1R)-1-cyclopropyl-2-méthoxyéthyl]-3-[(2,4-diméthoxy-6-méthyl-5-pyrimidinyl)amino]-2(1H)-pyrazinone [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 529.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.4±3.0 kJ/mol
Flash Point: 273.7±32.9 °C
Index of Refraction: 1.640
Molar Refractivity: 98.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.82
ACD/LogD (pH 5.5): 1.84
ACD/BCF (pH 5.5): 14.65
ACD/KOC (pH 5.5): 237.10
ACD/LogD (pH 7.4): 1.84
ACD/BCF (pH 7.4): 14.78
ACD/KOC (pH 7.4): 239.21
Polar Surface Area: 98 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 48.9±7.0 dyne/cm
Molar Volume: 272.9±7.0 cm3

Click to predict properties on the Chemicalize site


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