6-{4-[(4-Ethyl-1-Piperazinyl)Methyl]Phenyl}-N-[(1S)-1-Phenylethyl]-7H-Pyrrolo[2,3-D]Pyrimidin-4-Amine

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Properties Simple | Detailed

Formula C27H33N6
IUPAC Name 6-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-n-[(1s)-1-phenylethyl]-7h-pyrrolo[2,3-d]pyrimidine-1,3-diium-4a-id-4-amine
Molecular Mass 441.591 g·mol−1
Heat of Formation 414.8 ± 16.7 kJ·mol−1
Dipole Moment 4.40 ± 1.08 D
Volume 554.11 Å 3
Surface Area 486.27 Å 2
HOMO Energy -8.29 ± 0.55 eV
LUMO Energy 2.75 ± eV
Point Group Symmetry C1
Synonyms
  • 6-[4-[(4-ethyl-1-piperazinyl)methyl]phenyl]-n-[(1s)-1-phenylethyl]-7h-pyrrolo[3,2-e]pyrimidin-4-amine
  • 6-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-n-[(1s)-1-phenylethyl]-7h-pyrrolo[3,2-e]pyrimidin-4-amine
  • [6-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-7h-pyrrolo[3,2-e]pyrimidin-4-yl]-[(1s)-1-phenylethyl]amine
InChIKey OONFNUWBHFSNBT-FQEVSTJZSA-N
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