chempirical

5,5-Dibromo-2,4,6(1H,3H,5H)-pyrimidinetrione

C4H2Br2N2O3CAS 511-67-1285.88 g/mol

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OHNOBrBrOHN
Alkyl halide

Properties

Molecular formula
C4H2Br2N2O3
Molar mass
285.88 g/mol
Exact mass
283.8432 Da
Melting point
234 °C
logP
1.52Crippen estimate
Polar surface area
82.3 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
0

Identifiers

CAS number
511-67-1
SMILES
O=C1N=C(O)C(Br)(Br)C(O)=N1
InChIKey
AMATXUCYHHHHHB-UHFFFAOYSA-N
InChI
InChI=1S/C4H2Br2N2O3/c5-4(6)1(9)7-3(11)8-2(4)10/h(H2,7,8,9,10,11)

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Names and synonyms

7 names
  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-dibromo-
  • Barbituric acid, 5,5-dibromo-
  • 5,5-Dibromobarbituric acid
  • Dibromin
  • DBBA
  • NSC 6206
  • 5,5-Dibromopyrimidine-2,4,6-trione

Work with 5,5-Dibromo-2,4,6(1H,3H,5H)-pyrimidinetrione

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Alloxantin76-24-456 % similar Barbituric acid67-52-737 % similar Phenobarbital50-06-637 % similar Amobarbital57-43-237 % similar (±)-Pentobarbital76-74-436 % similar 2,4,5,6(1H,3H)-Pyrimidinetetrone, hydrate (1:1)2244-11-333 % similar 1,5,5-Trimethyl-2,4-imidazolidinedione6851-81-633 % similar Violuric acid87-39-833 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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