6-(Methylthio)-1H-pyrazolo[3,4]pyrimidine

C₆H₆N₄SCAS 55084-74-7166.20 g/mol

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Properties

Molecular formula: C₆H₆N₄S
Molar mass: 166.20 g/mol
Exact mass: 166.0313 Da
logP: 1.07Crippen estimate
Polar surface area: 54.5 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

Hazards

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

Identifiers

CAS number

55084-74-7

SMILES

CSC1=NC=C2C=NNC2=N1

InChIKey

USZSUCXARYTYDC-UHFFFAOYSA-N

InChI

InChI=1S/C6H6N4S/c1-11-6-7-2-4-3-8-10-5(4)9-6/h2-3H,1H3,(H,7,8,9,10)

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Names and synonyms

1 names

6-(Methylthio)-1H-pyrazolo[3,4-d]pyrimidine

Work with 6-(Methylthio)-1H-pyrazolo[3,4]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

6-Chloro-1H-pyrazolo[3,4-D]pyrimidine23002-51-952 % similar 1H-Pyrazolo(3,4-b)pyridine271-73-840 % similar 5-Bromo-4-chloro-2-methylsulfanyl-pyrimidine63810-78-638 % similar 5-Bromo-2-(methylsulfanyl)pyrimidine14001-67-338 % similar 6-Chloro-1H-pyrazolo[3,4-B]pyridine63725-51-938 % similar 4-Chloro-2-(methylthio)pyrimidine-5-carboxaldehyde148256-82-037 % similar 4-Methyl-2-(methylthio)pyrimidine14001-63-936 % similar 4-Chloro-2-(methylthio)pyrimidine49844-90-836 % similar

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

Same formula

6-Methylmercaptopurine50-66-8 4-Amino-2-(methylsulfanyl)pyrimidine-5-carbonitrile770-30-9

Elsewhere

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