ChemSpider 2D Image | 3-(2,6-Dichlorophenyl)-7-({4-[2-(diethylamino)ethoxy]phenyl}amino)-1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one | C25H28Cl2N6O2

3-(2,6-Dichlorophenyl)-7-({4-[2-(diethylamino)ethoxy]phenyl}amino)-1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one

  • Molecular FormulaC25H28Cl2N6O2
  • Average mass515.435 Da
  • Monoisotopic mass514.165100 Da
  • ChemSpider ID13666131

More details:

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

3-(2,6-Dichlorophenyl)-7-({4-[2-(diethylamino)ethoxy]phenyl}amino)-1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one [ACD/IUPAC Name]
3-(2,6-Dichlorophényl)-7-({4-[2-(diéthylamino)éthoxy]phényl}amino)-1-méthyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one [French] [ACD/IUPAC Name]
3-(2,6-Dichlorphenyl)-7-({4-[2-(diethylamino)ethoxy]phenyl}amino)-1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-on [German] [ACD/IUPAC Name]
Pyrimido[4,5-d]pyrimidin-2(1H)-one, 3-(2,6-dichlorophenyl)-7-[[4-[2-(diethylamino)ethoxy]phenyl]amino]-3,4-dihydro-1-methyl- [ACD/Index Name]
LHL

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

Density: 1.3±0.1 g/cm3
Boiling Point: 659.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.1±3.0 kJ/mol
Flash Point: 352.9±34.3 °C
Index of Refraction: 1.634
Molar Refractivity: 139.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.44
ACD/LogD (pH 5.5): 1.64
ACD/BCF (pH 5.5): 1.79
ACD/KOC (pH 5.5): 6.51
ACD/LogD (pH 7.4): 2.64
ACD/BCF (pH 7.4): 17.70
ACD/KOC (pH 7.4): 64.49
Polar Surface Area: 74 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 58.2±3.0 dyne/cm
Molar Volume: 389.2±3.0 cm3

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