ChemSpider 2D Image | (3aS,6aS)-4-(2-Amino-5-chloro-6-methyl-4-pyrimidinyl)-1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]hexahydropyrrolo[3,2-b]pyrrol-2(1H)-one | C19H26ClN7O

(3aS,6aS)-4-(2-Amino-5-chloro-6-methyl-4-pyrimidinyl)-1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]hexahydropyrrolo[3,2-b]pyrrol-2(1H)-one

  • Molecular FormulaC19H26ClN7O
  • Average mass403.909 Da
  • Monoisotopic mass403.188751 Da
  • ChemSpider ID81383250

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3aS,6aS)-4-(2-Amino-5-chlor-6-methyl-4-pyrimidinyl)-1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]hexahydropyrrolo[3,2-b]pyrrol-2(1H)-on [German] [ACD/IUPAC Name]
(3aS,6aS)-4-(2-Amino-5-chloro-6-methyl-4-pyrimidinyl)-1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]hexahydropyrrolo[3,2-b]pyrrol-2(1H)-one [ACD/IUPAC Name]
(3aS,6aS)-4-(2-Amino-5-chloro-6-méthyl-4-pyrimidinyl)-1-[3-(3,5-diméthyl-1H-pyrazol-1-yl)propyl]hexahydropyrrolo[3,2-b]pyrrol-2(1H)-one [French] [ACD/IUPAC Name]
Pyrrolo[3,2-b]pyrrol-2(1H)-one, 4-(2-amino-5-chloro-6-methyl-4-pyrimidinyl)-1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]hexahydro-, (3aS,6aS)- [ACD/Index Name]
rel-(3aS,6aS)-4-(2-amino-5-chloro-6-methyl-4-pyrimidinyl)-1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]hexahydropyrrolo[3,2-b]pyrrol-2(1H)-one

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

Density: 1.5±0.1 g/cm3
Boiling Point: 691.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.3±3.0 kJ/mol
Flash Point: 371.8±34.3 °C
Index of Refraction: 1.724
Molar Refractivity: 107.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.38
ACD/LogD (pH 5.5): 1.48
ACD/BCF (pH 5.5): 5.19
ACD/KOC (pH 5.5): 69.95
ACD/LogD (pH 7.4): 2.19
ACD/BCF (pH 7.4): 26.71
ACD/KOC (pH 7.4): 359.78
Polar Surface Area: 93 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 58.1±7.0 dyne/cm
Molar Volume: 271.5±7.0 cm3

Click to predict properties on the Chemicalize site


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