3-{[6-(3-Aminophenyl)-7H-Pyrrolo[2,3-D]Pyrimidin-4-Yl]Oxy}Phenol

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Properties Simple | Detailed

Formula C18H14N4O2
IUPAC Name 3-[6-(3-aminophenyl)pyrrolo[2,3-d]pyrimidin-7-ium-6-ylium-4-yl]oxyphenol
Molecular Mass 318.329 g·mol−1
Heat of Formation 107.6 ± 16.7 kJ·mol−1
Dipole Moment 4.74 ± 1.08 D
Volume 359.43 Å 3
Surface Area 336.14 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy -0.79 ± eV
Point Group Symmetry C1
Synonyms
  • gsk inhibitor xii
  • gsk-3beta inhibitor xii, tws119
  • hsci1_000361
  • k00245
  • neurogenesis inducer, tws119
InChIKey VPVLEBIVXZSOMQ-UHFFFAOYSA-N
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