2-Amino-3H-Pyrrolo[2,3-D]Pyrimidin-4(7H)-One

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Properties Simple | Detailed

Formula C6H6N4O
IUPAC Name 2-amino-1,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidine-2,3,4a,5,6,7a-hexaid-4-one
Molecular Mass 150.138 g·mol−1
Heat of Formation 74.1 ± 16.7 kJ·mol−1
Dipole Moment 8.95 ± 1.08 D
Volume 163.57 Å 3
Surface Area 167.94 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy 2.99 ± eV
Point Group Symmetry C1
Synonyms
  • 2-amino-1,7-dihydropyrrolo[3,2-e]pyrimidin-4-one
  • 2-amino-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one
  • 2-amino-4-hydroxy- pyrrolo- [2,3-d]- pyrimidine
  • 2-amino-4-hydroxypyrrolo[2,3-d]pyrimidine
  • 2-amino-7h-pyrrolo[2,3-d]pyrimidin-4-ol
  • 4,6-dimethoxy-3-methylisothiazolo[5,4-b]pyridine
  • 4h-pyrrolo(2,3-d)pyrimidin-4-one, 2-amino-1,7-dihydro-
  • isothiazolo[5,4-b]pyridine, 4,6-dimethoxy-3-methyl-
CAS Number(s)
  • 7355-55-7
  • 41687-92-7
InChIKey OLAFFPNXVJANFR-UHFFFAOYSA-N
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