3-Bromo-1H-pyrazolo[3,4-D]pyrimidine

C5H3BrN4CAS 1251033-27-8199.01 g/mol

Open in Covalent MOL file
NNNHNBr
Aryl halide

Properties

Molecular formula
C5H3BrN4
Molar mass
199.01 g/mol
Exact mass
197.9541 Da
logP
1.12Crippen estimate
Polar surface area
54.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
1251033-27-8
SMILES
C1=NC=NC2=NNC(=C21)Br
InChIKey
OHDYDXVLQKCZRK-UHFFFAOYSA-N
InChI
InChI=1S/C5H3BrN4/c6-4-3-1-7-2-8-5(3)10-9-4/h1-2H,(H,7,8,9,10)

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Work with 3-Bromo-1H-pyrazolo[3,4-D]pyrimidine

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

3-Bromo-1H-pyrazolo(3,4-b)pyridine68618-36-052 % similar 3-Bromo-4-chloro-1H-pyrazolo[3,4-D]pyrimidine90914-41-344 % similar 5-Bromo-7H-pyrrolo[2,3-D]pyrimidine175791-49-839 % similar 5-Bromo-quinazoline958452-00-136 % similar 5-Bromo-1H-pyrazolo[3,4-b]pyridin-3-amine405224-24-036 % similar 5-Bromo-3-iodo-1H-pyrazolo[3,4-b]pyridine875781-18-336 % similar 5-Bromo-3-methyl-1H-pyrazolo[3,4-b]pyridine885223-65-436 % similar 3,4,5-Tribromo-1H-pyrazole17635-44-834 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Bromo-9H-purine767-69-1 4-Amino-2-bromo-5-pyrimidinecarbonitrile94741-70-5

Elsewhere

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