ChemSpider 2D Image | 6-(4-Bromophenyl)-4-imino-7-phenyl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-3-amine | C18H14BrN5

6-(4-Bromophenyl)-4-imino-7-phenyl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-3-amine

  • Molecular FormulaC18H14BrN5
  • Average mass380.241 Da
  • Monoisotopic mass379.043243 Da
  • ChemSpider ID26354503

More details:

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

3H-Pyrrolo[2,3-d]pyrimidin-3-amine, 6-(4-bromophenyl)-4,7-dihydro-4-imino-7-phenyl- [ACD/Index Name]
6-(4-Bromophenyl)-4-imino-7-phenyl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-3-amine [ACD/IUPAC Name]
6-(4-Bromophényl)-4-imino-7-phényl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-3-amine [French] [ACD/IUPAC Name]
6-(4-Bromphenyl)-4-imino-7-phenyl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-3-amin [German] [ACD/IUPAC 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: 578.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.6±3.0 kJ/mol
Flash Point: 303.9±32.9 °C
Index of Refraction: 1.746
Molar Refractivity: 97.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.51
ACD/LogD (pH 5.5): 3.39
ACD/BCF (pH 5.5): 217.91
ACD/KOC (pH 5.5): 1620.08
ACD/LogD (pH 7.4): 3.41
ACD/BCF (pH 7.4): 228.26
ACD/KOC (pH 7.4): 1697.06
Polar Surface Area: 70 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 62.2±7.0 dyne/cm
Molar Volume: 240.7±7.0 cm3

Click to predict properties on the Chemicalize site


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