ChemSpider 2D Image | 2,4-Diamino-6-(3-formylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile | C14H10N6O

2,4-Diamino-6-(3-formylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

  • Molecular FormulaC14H10N6O
  • Average mass278.269 Da
  • Monoisotopic mass278.091614 Da
  • ChemSpider ID35034195

More details:

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

2,4-Diamino-6-(3-formylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-5-carbonitril [German] [ACD/IUPAC Name]
2,4-Diamino-6-(3-formylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile [ACD/IUPAC Name]
2,4-Diamino-6-(3-formylphényl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile [French] [ACD/IUPAC Name]
7H-Pyrrolo[2,3-d]pyrimidine-5-carbonitrile, 2,4-diamino-6-(3-formylphenyl)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 767.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.8±3.0 kJ/mol
Flash Point: 418.1±35.7 °C
Index of Refraction: 1.784
Molar Refractivity: 75.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 2.14
ACD/LogD (pH 5.5): 0.76
ACD/BCF (pH 5.5): 1.52
ACD/KOC (pH 5.5): 29.82
ACD/LogD (pH 7.4): 1.44
ACD/BCF (pH 7.4): 7.21
ACD/KOC (pH 7.4): 141.11
Polar Surface Area: 134 Å2
Polarizability: 29.9±0.5 10-24cm3
Surface Tension: 115.1±5.0 dyne/cm
Molar Volume: 178.7±5.0 cm3

Click to predict properties on the Chemicalize site


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