ChemSpider 2D Image | 3-(2-Chlorophenyl)-7-[(trans-4-hydroxycyclohexyl)amino]-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one | C18H20ClN5O2

3-(2-Chlorophenyl)-7-[(trans-4-hydroxycyclohexyl)amino]-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one

  • Molecular FormulaC18H20ClN5O2
  • Average mass373.837 Da
  • Monoisotopic mass373.130554 Da
  • ChemSpider ID26328809

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-(2-Chlorophenyl)-7-[(trans-4-hydroxycyclohexyl)amino]-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one [ACD/IUPAC Name]
3-(2-Chlorophényl)-7-[(trans-4-hydroxycyclohexyl)amino]-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one [French] [ACD/IUPAC Name]
3-(2-Chlorphenyl)-7-[(trans-4-hydroxycyclohexyl)amino]-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-on [German] [ACD/IUPAC Name]
Pyrimido[4,5-d]pyrimidin-2(1H)-one, 3-(2-chlorophenyl)-3,4-dihydro-7-[(trans-4-hydroxycyclohexyl)amino]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.679
Molar Refractivity: 98.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.85
ACD/LogD (pH 5.5): 2.47
ACD/BCF (pH 5.5): 43.62
ACD/KOC (pH 5.5): 513.21
ACD/LogD (pH 7.4): 2.48
ACD/BCF (pH 7.4): 45.39
ACD/KOC (pH 7.4): 534.01
Polar Surface Area: 90 Å2
Polarizability: 39.1±0.5 10-24cm3
Surface Tension: 73.2±3.0 dyne/cm
Molar Volume: 261.4±3.0 cm3

Click to predict properties on the Chemicalize site


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