ChemSpider 2D Image | 7-Isopropyl-1,5-dimethyl-1H-imidazo[2,1-b]purin-4(5H)-one | C12H15N5O

7-Isopropyl-1,5-dimethyl-1H-imidazo[2,1-b]purin-4(5H)-one

  • Molecular FormulaC12H15N5O
  • Average mass245.280 Da
  • Monoisotopic mass245.127655 Da
  • ChemSpider ID44210841

More details:

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

1H-Imidazo[2,1-b]purin-4(5H)-one, 1,5-dimethyl-7-(1-methylethyl)- [ACD/Index Name]
7-Isopropyl-1,5-dimethyl-1H-imidazo[2,1-b]purin-4(5H)-on [German] [ACD/IUPAC Name]
7-Isopropyl-1,5-dimethyl-1H-imidazo[2,1-b]purin-4(5H)-one [ACD/IUPAC Name]
7-Isopropyl-1,5-diméthyl-1H-imidazo[2,1-b]purin-4(5H)-one [French] [ACD/IUPAC Name]
1,5-dimethyl-7-(propan-2-yl)-1H-imidazo[2,1-b]purin-4(5H)-one
Acremolin B
  • Miscellaneous

    • Chemical Class:

      An imidazopurine that is 4,5-dihydro-1H-imidazo[2,1-b]purine substituted by methyl, oxo, methyl, and isopropyl groups at positions 1, 4, 5, and 7, respectively. It is a natural product isolated from t he deep-sea-derived fungus Aspergillus sp. SCSIO Ind09F01. ChEBI CHEBI:192357

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 550.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.1±3.0 kJ/mol
Flash Point: 286.8±27.9 °C
Index of Refraction: 1.704
Molar Refractivity: 68.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.63
ACD/LogD (pH 5.5): 0.72
ACD/BCF (pH 5.5): 1.87
ACD/KOC (pH 5.5): 47.99
ACD/LogD (pH 7.4): 0.91
ACD/BCF (pH 7.4): 2.87
ACD/KOC (pH 7.4): 73.92
Polar Surface Area: 56 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 51.3±7.0 dyne/cm
Molar Volume: 175.9±7.0 cm3

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