ChemSpider 2D Image | 3-{[6-(Isobutylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino}-N-[4-methoxy-3-(trifluoromethyl)phenyl]-4-methylbenzamide | C26H26F3N7O2

3-{[6-(Isobutylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino}-N-[4-methoxy-3-(trifluoromethyl)phenyl]-4-methylbenzamide

  • Molecular FormulaC26H26F3N7O2
  • Average mass525.526 Da
  • Monoisotopic mass525.210022 Da
  • ChemSpider ID58949447

More details:

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

3-{[6-(Isobutylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino}-N-[4-methoxy-3-(trifluormethyl)phenyl]-4-methylbenzamid [German] [ACD/IUPAC Name]
3-{[6-(Isobutylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino}-N-[4-methoxy-3-(trifluoromethyl)phenyl]-4-methylbenzamide [ACD/IUPAC Name]
3-{[6-(Isobutylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino}-N-[4-méthoxy-3-(trifluorométhyl)phényl]-4-méthylbenzamide [French] [ACD/IUPAC Name]
Benzamide, N-[4-methoxy-3-(trifluoromethyl)phenyl]-4-methyl-3-[[6-[(2-methylpropyl)amino]pyrimido[5,4-d]pyrimidin-4-yl]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: 1.651
Molar Refractivity: 140.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.72
ACD/LogD (pH 5.5): 5.36
ACD/BCF (pH 5.5): 6938.61
ACD/KOC (pH 5.5): 19532.60
ACD/LogD (pH 7.4): 5.36
ACD/BCF (pH 7.4): 6961.59
ACD/KOC (pH 7.4): 19597.30
Polar Surface Area: 114 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 55.2±3.0 dyne/cm
Molar Volume: 384.5±3.0 cm3

Click to predict properties on the Chemicalize site


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