ChemSpider 2D Image | 1-cyclobutyl-3-(2,6-dimethylphenyl)-7-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-4H-[1,3]diazino[4,5-d]pyrimidin-2-one | C30H37N7O2

1-cyclobutyl-3-(2,6-dimethylphenyl)-7-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-4H-[1,3]diazino[4,5-d]pyrimidin-2-one

  • Molecular FormulaC30H37N7O2
  • Average mass527.661 Da
  • Monoisotopic mass527.300903 Da
  • ChemSpider ID75533986

More details:

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

1-Cyclobutyl-3-(2,6-dimethylphenyl)-7-{[2-methoxy-4-(4-methyl-1-piperazinyl)phenyl]amino}-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-on [German] [ACD/IUPAC Name]
1-Cyclobutyl-3-(2,6-dimethylphenyl)-7-{[2-methoxy-4-(4-methyl-1-piperazinyl)phenyl]amino}-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one [ACD/IUPAC Name]
1-Cyclobutyl-3-(2,6-diméthylphényl)-7-{[2-méthoxy-4-(4-méthyl-1-pipérazinyl)phényl]amino}-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one [French] [ACD/IUPAC Name]
1-cyclobutyl-3-(2,6-dimethylphenyl)-7-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidin-2-one
1-cyclobutyl-3-(2,6-dimethylphenyl)-7-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-4H-[1,3]diazino[4,5-d]pyrimidin-2-one
2172617-15-9 [RN]
Pyrimido[4,5-d]pyrimidin-2(1H)-one, 1-cyclobutyl-3-(2,6-dimethylphenyl)-3,4-dihydro-7-[[2-methoxy-4-(4-methyl-1-piperazinyl)phenyl]amino]- [ACD/Index Name]
1-Cyclobutyl-3-(2,6-dimethylphenyl)-7-((2-methoxy-4-(4-methylpiperazin-1-yl)phenyl)amino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one
BS-15922
MFCD32173438
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 719.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.2±3.0 kJ/mol
Flash Point: 389.1±35.7 °C
Index of Refraction: 1.653
Molar Refractivity: 152.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.68
ACD/LogD (pH 5.5): 1.83
ACD/BCF (pH 5.5): 4.27
ACD/KOC (pH 5.5): 23.32
ACD/LogD (pH 7.4): 3.57
ACD/BCF (pH 7.4): 234.94
ACD/KOC (pH 7.4): 1283.43
Polar Surface Area: 77 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 60.7±3.0 dyne/cm
Molar Volume: 416.1±3.0 cm3

Click to predict properties on the Chemicalize site


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