ChemSpider 2D Image | 5-(4-Fluorophenyl)-1H-pyrrolo[2,3-d]pyrimidine-2,4-diamine | C12H10FN5

5-(4-Fluorophenyl)-1H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

  • Molecular FormulaC12H10FN5
  • Average mass243.240 Da
  • Monoisotopic mass243.092026 Da
  • ChemSpider ID35035462

More details:

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

1H-Pyrrolo[2,3-d]pyrimidine-2,4-diamine, 5-(4-fluorophenyl)- [ACD/Index Name]
5-(4-Fluorophenyl)-1H-pyrrolo[2,3-d]pyrimidine-2,4-diamine [ACD/IUPAC Name]
5-(4-Fluorophényl)-1H-pyrrolo[2,3-d]pyrimidine-2,4-diamine [French] [ACD/IUPAC Name]
5-(4-Fluorophenyl)-7h-Pyrrolo[2,3-D]pyrimidine-2,4-Diamine
5-(4-Fluorphenyl)-1H-pyrrolo[2,3-d]pyrimidin-2,4-diamin [German] [ACD/IUPAC Name]
4NR

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

Density: 1.6±0.1 g/cm3
Boiling Point: 422.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.7±3.0 kJ/mol
Flash Point: 209.5±31.5 °C
Index of Refraction: 1.776
Molar Refractivity: 63.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 0.92
ACD/LogD (pH 5.5): 0.75
ACD/BCF (pH 5.5): 2.17
ACD/KOC (pH 5.5): 60.35
ACD/LogD (pH 7.4): 0.75
ACD/BCF (pH 7.4): 2.20
ACD/KOC (pH 7.4): 61.12
Polar Surface Area: 89 Å2
Polarizability: 25.0±0.5 10-24cm3
Surface Tension: 64.2±7.0 dyne/cm
Molar Volume: 150.9±7.0 cm3

Click to predict properties on the Chemicalize site


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