ChemSpider 2D Image | 4-Fluoro-N-[5-(2-methyl-2-propanyl)-1,2-oxazol-3-yl]-3-[(6-{methyl[2-(1-pyrrolidinyl)ethyl]amino}pyrimido[5,4-d]pyrimidin-4-yl)amino]benzamide | C27H32FN9O2

4-Fluoro-N-[5-(2-methyl-2-propanyl)-1,2-oxazol-3-yl]-3-[(6-{methyl[2-(1-pyrrolidinyl)ethyl]amino}pyrimido[5,4-d]pyrimidin-4-yl)amino]benzamide

  • Molecular FormulaC27H32FN9O2
  • Average mass533.601 Da
  • Monoisotopic mass533.266296 Da
  • ChemSpider ID58946246

More details:

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

4-Fluor-N-[5-(2-methyl-2-propanyl)-1,2-oxazol-3-yl]-3-[(6-{methyl[2-(1-pyrrolidinyl)ethyl]amino}pyrimido[5,4-d]pyrimidin-4-yl)amino]benzamid [German] [ACD/IUPAC Name]
4-Fluoro-N-[5-(2-methyl-2-propanyl)-1,2-oxazol-3-yl]-3-[(6-{methyl[2-(1-pyrrolidinyl)ethyl]amino}pyrimido[5,4-d]pyrimidin-4-yl)amino]benzamide [ACD/IUPAC Name]
4-Fluoro-N-[5-(2-méthyl-2-propanyl)-1,2-oxazol-3-yl]-3-[(6-{méthyl[2-(1-pyrrolidinyl)éthyl]amino}pyrimido[5,4-d]pyrimidin-4-yl)amino]benzamide [French] [ACD/IUPAC Name]
Benzamide, N-[5-(1,1-dimethylethyl)-3-isoxazolyl]-4-fluoro-3-[[6-[methyl[2-(1-pyrrolidinyl)ethyl]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: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.666
Molar Refractivity: 148.2±0.3 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.35
ACD/LogD (pH 5.5): 0.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.25
ACD/LogD (pH 7.4): 1.61
ACD/BCF (pH 7.4): 3.07
ACD/KOC (pH 7.4): 19.38
Polar Surface Area: 125 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 70.1±3.0 dyne/cm
Molar Volume: 398.6±3.0 cm3

Click to predict properties on the Chemicalize site


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