5,6-Diaminopyrimidine-2,4-Diol

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Properties Simple | Detailed

Formula C4H6N4O2++
IUPAC Name 5,6-diaminopyrimidin-1-ium-5-ylium-2,4-dione
Molecular Mass 142.116 g·mol−1
Heat of Formation -300.5 ± 16.7 kJ·mol−1
Dipole Moment 4.92 ± 1.08 D
Volume 151.41 Å 3
Surface Area 156.96 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy -0.40 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4(1h,3h)-pyrimidinedione, 5,6-diamino-
  • 2,4(1h,3h)-pyrimidinedione, 5,6-diamino-, monohydrochloride
  • 5,6-diamino-1h-pyrimidine-2,4-dione
  • 5,6-diamino-2,4-dihydroxypyrimidine
  • 5,6-diaminopyrimidine-2,4(1h,3h)-dione
  • 5,6-diaminouracil
  • ald-n036388
  • urn
CAS Number(s)
  • 53608-89-2
  • 13034-83-8
  • 23899-74-3
  • 51171-03-0
InChIKey BBTNLADSUVOPPN-UHFFFAOYSA-N
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