ChemSpider 2D Image | 2-Amino-6-(1,3-benzodioxol-5-yl)-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile | C14H9N5O3

2-Amino-6-(1,3-benzodioxol-5-yl)-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

  • Molecular FormulaC14H9N5O3
  • Average mass295.253 Da
  • Monoisotopic mass295.070526 Da
  • ChemSpider ID24631174

More details:

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

2-Amino-6-(1,3-benzodioxol-5-yl)-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-carbonitril [German] [ACD/IUPAC Name]
2-Amino-6-(1,3-benzodioxol-5-yl)-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile [ACD/IUPAC Name]
2-Amino-6-(1,3-benzodioxol-5-yl)-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile [French] [ACD/IUPAC Name]
3H-Pyrrolo[2,3-d]pyrimidine-5-carbonitrile, 2-amino-6-(1,3-benzodioxol-5-yl)-4,7-dihydro-4-oxo- [ACD/Index Name]
AX1

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.869
Molar Refractivity: 73.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.26
ACD/LogD (pH 5.5): 0.91
ACD/BCF (pH 5.5): 2.87
ACD/KOC (pH 5.5): 74.10
ACD/LogD (pH 7.4): 0.90
ACD/BCF (pH 7.4): 2.85
ACD/KOC (pH 7.4): 73.46
Polar Surface Area: 126 Å2
Polarizability: 29.1±0.5 10-24cm3
Surface Tension: 86.2±7.0 dyne/cm
Molar Volume: 161.9±7.0 cm3

Click to predict properties on the Chemicalize site


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