chempirical

6-Bromo-9H-purine

C5H3BrN4CAS 767-69-1199.01 g/mol

Open in Covalent MOL file
BrNNHNN
Aryl halide

Properties

Molecular formula
C5H3BrN4
Molar mass
199.01 g/mol
Exact mass
197.9541 Da
logP
1.07Crippen estimate
Polar surface area
54.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Identifiers

CAS number
767-69-1
SMILES
Brc1nc[nH]c2ncnc1-2
InChIKey
CTGFGRDVWBZYNB-UHFFFAOYSA-N
InChI
InChI=1S/C5H3BrN4/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H,7,8,9,10)

Weigh it out

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

Names and synonyms

5 names
  • 9H-Purine, 6-bromo-
  • Purine, 6-bromo-
  • 1H-Purine, 6-bromo-
  • 6-Bromopurine
  • NSC 45150

Work with 6-Bromo-9H-purine

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

Adenine73-24-553 % similar 6-Chloropurine87-42-353 % similar Adenine hydrochloride2922-28-348 % similar 6-Benzylaminopurine1214-39-742 % similar Adenine sulfate321-30-241 % similar Adenine phosphate52175-10-741 % similar Isopentenyladenine2365-40-439 % similar Kinetin525-79-138 % similar

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

Same formula

3-Bromo-1H-pyrazolo[3,4-D]pyrimidine1251033-27-8 4-Amino-2-bromo-5-pyrimidinecarbonitrile94741-70-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook