Kin001-051

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Properties Simple | Detailed

Formula C23H22N4O
IUPAC Name 7-cyclopentyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
Molecular Mass 370.447 g·mol−1
Heat of Formation 217.3 ± 16.7 kJ·mol−1
Dipole Moment 4.11 ± 1.08 D
Volume 445.6 Å 3
Surface Area 390.09 Å 2
HOMO Energy -8.40 ± 0.55 eV
LUMO Energy 2.66 ± eV
Point Group Symmetry C1
Synonyms
  • 4-amino-5-(4-phenoxyphenyl)-7h-pyrrolo[3,2-d]pyrimidin-7-yl-cyclopentane
  • 7-cyclopentyl-5-(4-phenoxyphenyl)-7h-pyrrolo[2,3‑d]pyrimidin-4-ylamine
  • 7-cyclopentyl-5-[4-(phenoxy)phenyl]-4-pyrrolo[3,2-e]pyrimidinamine
  • [7-cyclopentyl-5-[4-(phenoxy)phenyl]pyrrolo[3,2-e]pyrimidin-4-yl]amine
  • lck inhibitor
InChIKey FMETVQKSDIOGPX-UHFFFAOYSA-N
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