chempirical

5-Bromocytosine

C4H4BrN3OCAS 2240-25-7190.00 g/mol

Open in Covalent MOL file
NHNHOHNBr
Aryl halidePhenol

Properties

Molecular formula
C4H4BrN3O
Molar mass
190.00 g/mol
Exact mass
188.9538 Da
Melting point
245–255 °C (decomposes)
logP
0.36Crippen estimate
Polar surface area
72.8 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
0

Identifiers

CAS number
2240-25-7
SMILES
N=c1[nH]c(O)ncc1Br
InChIKey
QFVKLKDEXOWFSL-UHFFFAOYSA-N
InChI
InChI=1S/C4H4BrN3O/c5-2-1-7-4(9)8-3(2)6/h1H,(H3,6,7,8,9)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • 2(1H)-Pyrimidinone, 6-amino-5-bromo-
  • Cytosine, 5-bromo-
  • 2(1H)-Pyrimidinone, 4-amino-5-bromo-
  • 6-Amino-5-bromo-2(1H)-pyrimidinone
  • 4-Amino-5-bromo-2-hydroxypyrimidine

Work with 5-Bromocytosine

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

5-Methylcytosine554-01-860 % similar 6-Amino-5-iodo-2(1H)-pyrimidinone1122-44-758 % similar Flucytosine2022-85-758 % similar 5-Methylcytosine hydrochloride58366-64-655 % similar 6-Amino-1,3,5-triazin-2(1H)-one931-86-245 % similar 4-Amino-5-bromopyrimidine1439-10-744 % similar 1,3-Dihydro-4-methyl-2H-imidazol-2-one1192-34-342 % similar Cytosine71-30-739 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook