chempirical

7-Bromothieno(3,2-d)pyrimidin-4-ol

C6H3BrN2OSCAS 31169-25-2231.07 g/mol

Open in Covalent MOL file
SONHNBr
Aryl halide

Properties

Molecular formula
C6H3BrN2OS
Molar mass
231.07 g/mol
Exact mass
229.9149 Da
logP
1.75Crippen estimate
Polar surface area
45.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Identifiers

CAS number
31169-25-2
SMILES
C1=C(C2=C(S1)C(=O)NC=N2)Br
InChIKey
SFFNZDXKMOSLNK-UHFFFAOYSA-N
InChI
InChI=1S/C6H3BrN2OS/c7-3-1-11-5-4(3)8-2-9-6(5)10/h1-2H,(H,8,9,10)

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Names and synonyms

1 names
  • 7-Bromothieno[3,2-D]pyrimidin-4(1H)-one

Work with 7-Bromothieno(3,2-d)pyrimidin-4-ol

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

3H,4H-Thieno[3,2-d]pyrimidin-4-one16234-10-945 % similar 7-Bromo-4-chlorothieno[3,2-D]pyrimidine31169-27-444 % similar 7-Bromo-6-chloro-4-quinazolinone17518-98-839 % similar 5-Bromo-4,6-dihydroxypyrimidine15726-38-238 % similar 6-Bromoquinazolin-4-ol32084-59-638 % similar Thieno(2,3-d)pyrimidin-4(3H)-one14080-50-338 % similar 7-Bromo-1H-quinazolin-4-one194851-16-635 % similar 4,5-Diamino-6-hydroxypyrimidine1672-50-033 % similar

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

Elsewhere

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