2-(7-Methyl-2,4-Di-1-Pyrrolidinyl-7H-Pyrrolo(2,3-D)Pyrimidin-6-Yl)Phenol

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Formula C21H25N5O
IUPAC Name 2-(7-methyl-2,4-dipyrrolidin-1-yl-pyrrolo[2,3-d]pyrimidin-7-ium-4-ylium-6-yl)phenol
Molecular Mass 363.456 g·mol−1
Heat of Formation 137.7 ± 16.7 kJ·mol−1
Dipole Moment 1.45 ± 1.08 D
Volume 442.8 Å 3
Surface Area 387.78 Å 2
HOMO Energy -7.42 ± 0.55 eV
LUMO Energy -0.02 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(7-methyl-2,4-di1-pyrrolidinyl-6-pyrrolo[4,5-e]pyrimidinyl)phenol
  • 2-(7-methyl-2,4-dipyrrolidin-1-yl-pyrrolo[4,5-e]pyrimidin-6-yl)phenol
  • 2-(7-methyl-2,4-dipyrrolidin-1-ylpyrrolo[4,5-e]pyrimidin-6-yl)phenol
  • phenol, 2-(7-methyl-2,4-di-1-pyrrolidinyl-7h-pyrrolo(2,3-d)pyrimidin-6-yl)-
  • u 91736b
  • u-91736b
CAS Number(s)
  • 157012-69-6
InChIKey WLTJDXFDYLFDCH-UHFFFAOYSA-N
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