ChemSpider 2D Image | 3-{[6-(Benzylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino}-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide | C27H21F3N8O

3-{[6-(Benzylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino}-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide

  • Molecular FormulaC27H21F3N8O
  • Average mass530.504 Da
  • Monoisotopic mass530.179016 Da
  • ChemSpider ID58946883

More details:

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

3-{[6-(Benzylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino}-4-methyl-N-[4-(trifluormethyl)-2-pyridinyl]benzamid [German] [ACD/IUPAC Name]
3-{[6-(Benzylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino}-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide [ACD/IUPAC Name]
3-{[6-(Benzylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino}-4-méthyl-N-[4-(trifluorométhyl)-2-pyridinyl]benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-methyl-3-[[6-[(phenylmethyl)amino]pyrimido[5,4-d]pyrimidin-4-yl]amino]-N-[4-(trifluoromethyl)-2-pyridinyl]- [ACD/Index Name]

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: 1.710
Molar Refractivity: 142.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.33
ACD/LogD (pH 5.5): 5.04
ACD/BCF (pH 5.5): 3971.38
ACD/KOC (pH 5.5): 13092.05
ACD/LogD (pH 7.4): 5.04
ACD/BCF (pH 7.4): 3984.93
ACD/KOC (pH 7.4): 13136.73
Polar Surface Area: 118 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 66.4±3.0 dyne/cm
Molar Volume: 364.5±3.0 cm3

Click to predict properties on the Chemicalize site


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