2-Amino-7-(Pyridin-3-Ylmethyl)-5H-Pyrrolo[3,2-D]Pyrimidin-4-Ol

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Properties Simple | Detailed

Formula C12H18N5O+
IUPAC Name 2-amino-7-(3-pyridylmethyl)-5,6-dihydro-1h-pyrrolo[3,2-d]pyrimidine-2,3,4a,6,7,7a-hexaid-4-one
Molecular Mass 248.304 g·mol−1
Heat of Formation 167.3 ± 16.7 kJ·mol−1
Dipole Moment 6.12 ± 1.08 D
Volume 274.85 Å 3
Surface Area 256.27 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy -0.35 ± eV
Point Group Symmetry C1
Synonyms
  • 2-amino-3,5-dihydro-7-(3-pyridylmethyl)-4h-pyrrolo(3,2-d)pyrimidin-4-one
  • 2-amino-7-(3-pyridylmethyl)-1,5-dihydropyrrolo[2,3-e]pyrimidin-4-one
  • 2-amino-7-(pyridin-3-ylmethyl)-1,5-dihydropyrrolo[2,3-e]pyrimidin-4-one
  • 4h-pyrrolo(3,2-d)pyrimidin-4-one, 2-amino-3,5-dihydro-7-(3-pyridinylmethyl)-
  • 9-(3-pyridylmethyl)-7h-9-deazaguanine
  • bcx-34
  • d05396
  • drg-0311
  • peldesine
  • peldesine (usan)
CAS Number(s)
  • 133432-71-0
InChIKey DOHVAKFYAHLCJP-UHFFFAOYSA-N
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