5,6-Diaminopyrimidin-4-Ol

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Properties Simple | Detailed

Formula C4H6N4O
IUPAC Name 5,6-diaminopyrimidin-1-ium-3-id-4-one
Molecular Mass 126.117 g·mol−1
Heat of Formation -6.1 ± 16.7 kJ·mol−1
Dipole Moment 7.55 ± 1.08 D
Volume 140.56 Å 3
Surface Area 147.54 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -0.51 ± eV
Point Group Symmetry C1
Synonyms
  • 4(1h)-pyrimidinone, 5,6-diamino-
  • 4(1h)-pyrimidinone, 5,6-diamino- (9ci)
  • 4(3h)-pyrimidinone, 5,6-diamino-
  • 4,5-diamino-6-hydroxypyrimidine
  • 4,5-diaminohypoxanthine
  • 4-pyrimidinol, 5,6-diamino-
  • 4-pyrimidinol, 5,6-diamino- (8ci)
  • 5,6-diamino-1h-pyrimidin-4-one
  • 5,6-diamino-4(3h)-pyrimidinone
  • bbv-00026444
CAS Number(s)
  • 1672-50-0
InChIKey PWRHKLKFADDKHS-UHFFFAOYSA-N
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