2-Amino-1,5-Dihydro-4H-Pyrrolo[2,3-D]Pyrimidin-4-One

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Properties Simple | Detailed

Formula C6H6N4O
IUPAC Name 2-amino-1,5-dihydropyrrolo[2,3-d]pyrimidin-4-one
Molecular Mass 150.138 g·mol−1
Heat of Formation 116.1 ± 16.7 kJ·mol−1
Dipole Moment 5.16 ± 1.08 D
Volume 164.12 Å 3
Surface Area 167.8 Å 2
HOMO Energy -9.55 ± 0.55 eV
LUMO Energy -1.31 ± eV
Point Group Symmetry C1
Synonyms
  • 2-amino-5-[[[(1s,4s,5r)-4,5-dihydroxy-1-cyclopent-2-enyl]amino]methyl]-1,7-dihydropyrrolo[3,2-e]pyrimidin-4-one
  • 7-deazaguanine
  • 7dg
InChIKey LOSIULRWFAEMFL-UHFFFAOYSA-N
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