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

C₅H₃BrN₄CAS 1251033-27-8199.01 g/mol

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Properties

Molecular formula: C₅H₃BrN₄
Molar mass: 199.01 g/mol
Exact mass: 197.9541 Da
logP: 1.12Crippen estimate
Polar surface area: 54.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

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

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

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-Bromo-1H-pyrazolo[4,3-C]pyridine633328-88-832 % similar 5-Bromo-4(3H)-pyrimidinone19808-30-131 % similar 5-Bromo-4-chloropyrimidine56181-39-631 % similar 5-Bromopyrimidine4595-59-930 % 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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