4-Amino-1,6-Dihydro-2,5-Pyrimidinedione

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Properties Simple | Detailed

Formula C4H5N3O2
IUPAC Name 4-amino-1,6-dihydropyrimidine-2,5-dione
Molecular Mass 127.101 g·mol−1
Heat of Formation -197.5 ± 16.7 kJ·mol−1
Dipole Moment 5.01 ± 1.08 D
Volume 135.3 Å 3
Surface Area 144.5 Å 2
HOMO Energy -10.05 ± 0.55 eV
LUMO Energy -1.30 ± eV
Point Group Symmetry C1
Synonyms
  • 2,5-pyrimidinedione, 4-amino-1,6-dihydro-
  • 4-amino-1,6-dihydropyrimidine-2,5-quinone
  • 5-hydroxycytosine
CAS Number(s)
  • 75321-30-1
InChIKey DBNZPRXSOWIVMI-UHFFFAOYSA-N
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