1-Amino-5-Bromo-2,4(1H,3H)-Pyrimidinedione

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Properties Simple | Detailed

Formula C4H4BrN3O2
IUPAC Name 1-amino-5-bromo-pyrimidine-2,4-dione
Molecular Mass 205.997 g·mol−1
Heat of Formation -176.1 ± 16.7 kJ·mol−1
Dipole Moment 3.74 ± 1.08 D
Volume 165.24 Å 3
Surface Area 168.05 Å 2
HOMO Energy -9.58 ± 0.55 eV
LUMO Energy 2.05 ± eV
Point Group Symmetry Cs
Synonyms
  • 1-amino-5-bromo-pyrimidine-2,4-quinone
  • 1-amino-5-bromopyrimidine-2,4-dione
  • 1-amino-5-bromouracil
  • 2,4(1h,3h)-pyrimidinedione, 1-amino-5-bromo-
  • biomol-nt_000272
  • bpbio1_000992
CAS Number(s)
  • 127984-93-4
InChIKey IUPKMXPUMPJRDV-UHFFFAOYSA-N
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Elements H C O Br N