ChemSpider 2D Image | 1-Cyclopropyl-N-(4-methyl-3-{[6-(4-methyl-1-piperazinyl)pyrimido[5,4-d]pyrimidin-4-yl]amino}phenyl)methanesulfonamide | C22H28N8O2S

1-Cyclopropyl-N-(4-methyl-3-{[6-(4-methyl-1-piperazinyl)pyrimido[5,4-d]pyrimidin-4-yl]amino}phenyl)methanesulfonamide

  • Molecular FormulaC22H28N8O2S
  • Average mass468.575 Da
  • Monoisotopic mass468.205597 Da
  • ChemSpider ID58954569

More details:

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

1-Cyclopropyl-N-(4-methyl-3-{[6-(4-methyl-1-piperazinyl)pyrimido[5,4-d]pyrimidin-4-yl]amino}phenyl)methanesulfonamide [ACD/IUPAC Name]
1-Cyclopropyl-N-(4-méthyl-3-{[6-(4-méthyl-1-pipérazinyl)pyrimido[5,4-d]pyrimidin-4-yl]amino}phényl)méthanesulfonamide [French] [ACD/IUPAC Name]
1-Cyclopropyl-N-(4-methyl-3-{[6-(4-methyl-1-piperazinyl)pyrimido[5,4-d]pyrimidin-4-yl]amino}phenyl)methansulfonamid [German] [ACD/IUPAC Name]
Cyclopropanemethanesulfonamide, N-[4-methyl-3-[[6-(4-methyl-1-piperazinyl)pyrimido[5,4-d]pyrimidin-4-yl]amino]phenyl]- [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: 661.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.3±3.0 kJ/mol
Flash Point: 353.9±34.3 °C
Index of Refraction: 1.686
Molar Refractivity: 126.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.83
ACD/LogD (pH 5.5): 0.96
ACD/BCF (pH 5.5): 1.35
ACD/KOC (pH 5.5): 15.74
ACD/LogD (pH 7.4): 2.33
ACD/BCF (pH 7.4): 31.77
ACD/KOC (pH 7.4): 370.06
Polar Surface Area: 125 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 78.5±3.0 dyne/cm
Molar Volume: 331.8±3.0 cm3

Click to predict properties on the Chemicalize site


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