ChemSpider 2D Image | (3-{4-[(2S)-2-(Aminomethyl)-4-morpholinyl]-1H-pyrrolo[2,3-d]pyrimidin-5-yl}phenyl)methanol | C18H21N5O2

(3-{4-[(2S)-2-(Aminomethyl)-4-morpholinyl]-1H-pyrrolo[2,3-d]pyrimidin-5-yl}phenyl)methanol

  • Molecular FormulaC18H21N5O2
  • Average mass339.392 Da
  • Monoisotopic mass339.169525 Da
  • ChemSpider ID26329427
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(3-{4-[(2S)-2-(Aminomethyl)-4-morpholinyl]-1H-pyrrolo[2,3-d]pyrimidin-5-yl}phenyl)methanol [German] [ACD/IUPAC Name]
(3-{4-[(2S)-2-(Aminomethyl)-4-morpholinyl]-1H-pyrrolo[2,3-d]pyrimidin-5-yl}phenyl)methanol [ACD/IUPAC Name]
(3-{4-[(2S)-2-(Aminométhyl)-4-morpholinyl]-1H-pyrrolo[2,3-d]pyrimidin-5-yl}phényl)méthanol [French] [ACD/IUPAC Name]
(3-{4-[(2s)-2-(Aminomethyl)morpholin-4-Yl]-7h-Pyrrolo[2,3-D]pyrimidin-5-Yl}phenyl)methanol
Benzenemethanol, 3-[4-[(2S)-2-(aminomethyl)-4-morpholinyl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]- [ACD/Index Name]
YM5

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.673
Molar Refractivity: 95.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.05
ACD/LogD (pH 5.5): -3.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 100 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 68.0±3.0 dyne/cm
Molar Volume: 255.5±3.0 cm3

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