ChemSpider 2D Image | (4aS)-2,6,8-Trimethyl-4a-(2-oxopropyl)-2,4,4a,8-tetrahydropyrimido[5,4-e][1,2,4]triazine-3,5,7(6H)-trione | C11H15N5O4

(4aS)-2,6,8-Trimethyl-4a-(2-oxopropyl)-2,4,4a,8-tetrahydropyrimido[5,4-e][1,2,4]triazine-3,5,7(6H)-trione

  • Molecular FormulaC11H15N5O4
  • Average mass281.268 Da
  • Monoisotopic mass281.112396 Da
  • ChemSpider ID59702428

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4aS)-2,6,8-Trimethyl-4a-(2-oxopropyl)-2,4,4a,8-tetrahydropyrimido[5,4-e][1,2,4]triazin-3,5,7(6H)-trion [German] [ACD/IUPAC Name]
(4aS)-2,6,8-Trimethyl-4a-(2-oxopropyl)-2,4,4a,8-tetrahydropyrimido[5,4-e][1,2,4]triazine-3,5,7(6H)-trione [ACD/IUPAC Name]
(4aS)-2,6,8-Triméthyl-4a-(2-oxopropyl)-2,4,4a,8-tétrahydropyrimido[5,4-e][1,2,4]triazine-3,5,7(6H)-trione [French] [ACD/IUPAC Name]
Pyrimido[5,4-e]-1,2,4-triazine-3,5,7(6H)-trione, 2,4,4a,8-tetrahydro-2,6,8-trimethyl-4a-(2-oxopropyl)-, (4aS)- [ACD/Index Name]
E'Pyrizinostatin'

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.670
Molar Refractivity: 69.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.93
ACD/LogD (pH 5.5): -1.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.80
ACD/LogD (pH 7.4): -1.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.81
Polar Surface Area: 102 Å2
Polarizability: 27.5±0.5 10-24cm3
Surface Tension: 61.1±7.0 dyne/cm
Molar Volume: 185.6±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement