Basic information
- CAS
5444-28-0- Standard SMILES
CNc1nc(SC)nc2[nH]ncc12- InChIKey
TYXJRBVEHKTNBE-UHFFFAOYSA-N- Molecular formula
- C7H9N5S
- Average molar mass
- 195.25 g/mol
- Monoisotopic mass
- 195.05786648
Names & identifiers
- Preferred name
- N-Methyl-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
- IUPAC
- N-methyl-6-methylsulfanyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
Names & synonyms
5444-28-0N-Methyl-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-amineNSC19081N-methyl-6-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-amineINA35447NSC-19081pyrazolo[3,4-d]pyrimidine, 4-methylamino-6-methylthio-
Database identifiers
- CAS
5444-28-0- PubChem CID
- 227481
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 91.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 178
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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