ChemSpider 2D Image | 5-(Phenylethynyl)-4-(1-pyrrolidinyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine | C18H17N5

5-(Phenylethynyl)-4-(1-pyrrolidinyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine

  • Molecular FormulaC18H17N5
  • Average mass303.361 Da
  • Monoisotopic mass303.148407 Da
  • ChemSpider ID35034644

More details:

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

5-(Phenylethinyl)-4-(1-pyrrolidinyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amin [German] [ACD/IUPAC Name]
5-(Phenylethynyl)-4-(1-pyrrolidinyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine [ACD/IUPAC Name]
5-(Phényléthynyl)-4-(1-pyrrolidinyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine [French] [ACD/IUPAC Name]
5-(Phenylethynyl)-4-(Pyrrolidin-1-Yl)-7h-Pyrrolo[2,3-D]pyrimidin-2-Amine
7H-Pyrrolo[2,3-d]pyrimidin-2-amine, 5-(2-phenylethynyl)-4-(1-pyrrolidinyl)- [ACD/Index Name]
XP0

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

Density: 1.4±0.1 g/cm3
Boiling Point: 624.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.5±3.0 kJ/mol
Flash Point: 331.7±34.3 °C
Index of Refraction: 1.747
Molar Refractivity: 89.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.94
ACD/LogD (pH 5.5): 1.28
ACD/BCF (pH 5.5): 1.79
ACD/KOC (pH 5.5): 13.99
ACD/LogD (pH 7.4): 2.83
ACD/BCF (pH 7.4): 64.08
ACD/KOC (pH 7.4): 499.50
Polar Surface Area: 71 Å2
Polarizability: 35.6±0.5 10-24cm3
Surface Tension: 87.1±5.0 dyne/cm
Molar Volume: 221.1±5.0 cm3

Click to predict properties on the Chemicalize site


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