5-{2-Amino-4-Chloro-7-[(4-Methoxy-3,5-Dimethyl-2-Pyridinyl)Methyl]-7H-Pyrrolo[2,3-D]Pyrimidin-5-Yl}-2-Methyl-4-Pentyn-2-Ol

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Properties Simple | Detailed

Formula C21H24ClN5O2
IUPAC Name 5-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]pyrrolo[2,3-d]pyrimidin-7-ium-4-ylium-5-yl]-2-methyl-pent-4-yn-2-ol
Molecular Mass 413.901 g·mol−1
Heat of Formation 65.6 ± 16.7 kJ·mol−1
Dipole Moment 4.84 ± 1.08 D
Volume 492.88 Å 3
Surface Area 425.76 Å 2
HOMO Energy -8.22 ± 0.55 eV
LUMO Energy -0.72 ± eV
Point Group Symmetry C1
Synonyms
  • 5-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]-5-pyrrolo[4,5-e]pyrimidinyl]-2-methylpent-4-yn-2-ol
  • 5-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]pyrrolo[4,5-e]pyrimidin-5-yl]-2-methyl-pent-4-yn-2-ol
  • 5-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methyl]pyrrolo[4,5-e]pyrimidin-5-yl]-2-methyl-pent-4-yn-2-ol
InChIKey VOASEWXFCTZRDF-UHFFFAOYSA-N
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