1H-Pyrrolo[2,3-D]Pyrimidin-4-Amin

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Properties Simple | Detailed

Formula C6H6N4
IUPAC Name pyrrolo[2,3-d]pyrimidin-7-ium-4-amine
Molecular Mass 134.139 g·mol−1
Heat of Formation 226.5 ± 16.7 kJ·mol−1
Dipole Moment 3.71 ± 1.08 D
Volume 151.52 Å 3
Surface Area 156.56 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy 2.74 ± eV
Point Group Symmetry Cs
Synonyms
  • 4-aminopyrrolo(2,3-d)pyrimidine
  • 7-deazaadenine
  • 7h-pyrrolo(2,3-d)pyrimidine, 4-amino-
  • 7h-pyrrolo[2,3-d]pyrimidin-4-amine
  • 7h-pyrrolo[2,3-d]pyrimidine, 4-amino-
  • 7h-pyrrolo[3,2-e]pyrimidin-4-amine
  • 7h-pyrrolo[3,2-e]pyrimidin-4-ylamine
CAS Number(s)
  • 1500-85-2
InChIKey PEHVGBZKEYRQSX-UHFFFAOYSA-N
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