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Search term: OWEDOBFUVPKBNA-MRVPVSSYSA-N (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 3-Methyl-5-(4-pyrimidinylamino)-1-isoindolinone | C13H12N4O

3-Methyl-5-(4-pyrimidinylamino)-1-isoindolinone

  • Molecular FormulaC13H12N4O
  • Average mass240.261 Da
  • Monoisotopic mass240.101105 Da
  • ChemSpider ID76765808

More details:

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

1H-Isoindol-1-one, 2,3-dihydro-3-methyl-5-(4-pyrimidinylamino)- [ACD/Index Name]
3-Methyl-5-(4-pyrimidinylamino)-1-isoindolinon [German] [ACD/IUPAC Name]
3-Methyl-5-(4-pyrimidinylamino)-1-isoindolinone [ACD/IUPAC Name]
3-Méthyl-5-(4-pyrimidinylamino)-1-isoindolinone [French] [ACD/IUPAC 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: 514.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.6±3.0 kJ/mol
Flash Point: 265.0±30.1 °C
Index of Refraction: 1.658
Molar Refractivity: 67.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.48
ACD/LogD (pH 5.5): 1.22
ACD/BCF (pH 5.5): 4.72
ACD/KOC (pH 5.5): 99.27
ACD/LogD (pH 7.4): 1.31
ACD/BCF (pH 7.4): 5.85
ACD/KOC (pH 7.4): 123.11
Polar Surface Area: 67 Å2
Polarizability: 26.8±0.5 10-24cm3
Surface Tension: 62.1±3.0 dyne/cm
Molar Volume: 183.5±3.0 cm3

Click to predict properties on the Chemicalize site


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