ChemSpider 2D Image | (4R,4aR,5S,8aR)-1,6-Diisopropyl-4-methyl-5-phenylhexahydropyrimido[4,5-d]pyrimidine-2,7(1H,3H)-dione | C19H28N4O2

(4R,4aR,5S,8aR)-1,6-Diisopropyl-4-methyl-5-phenylhexahydropyrimido[4,5-d]pyrimidine-2,7(1H,3H)-dione

  • Molecular FormulaC19H28N4O2
  • Average mass344.451 Da
  • Monoisotopic mass344.221222 Da
  • ChemSpider ID62394911

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(4R,4aR,5S,8aR)-1,6-Diisopropyl-4-methyl-5-phenylhexahydropyrimido[4,5-d]pyrimidin-2,7(1H,3H)-dion [German] [ACD/IUPAC Name]
(4R,4aR,5S,8aR)-1,6-Diisopropyl-4-methyl-5-phenylhexahydropyrimido[4,5-d]pyrimidine-2,7(1H,3H)-dione [ACD/IUPAC Name]
(4R,4aR,5S,8aR)-1,6-Diisopropyl-4-méthyl-5-phénylhexahydropyrimido[4,5-d]pyrimidine-2,7(1H,3H)-dione [French] [ACD/IUPAC Name]
Pyrimido[4,5-d]pyrimidine-2,7(1H,3H)-dione, hexahydro-4-methyl-1,6-bis(1-methylethyl)-5-phenyl-, (4R,4aR,5S,8aR)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 576.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.3±3.0 kJ/mol
Flash Point: 302.4±30.1 °C
Index of Refraction: 1.528
Molar Refractivity: 96.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.78
ACD/LogD (pH 5.5): 3.18
ACD/BCF (pH 5.5): 153.38
ACD/KOC (pH 5.5): 1276.95
ACD/LogD (pH 7.4): 3.18
ACD/BCF (pH 7.4): 153.38
ACD/KOC (pH 7.4): 1276.94
Polar Surface Area: 65 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 36.7±3.0 dyne/cm
Molar Volume: 314.0±3.0 cm3

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