N,N-dimethyl-5-methylsulfanyl-1H-pyrazolo[4,5-d]pyrimidin-7-amine
Basic information
- CAS
6971-24-0- Standard SMILES
CSc1nc(N(C)C)c2[nH]ncc2n1- InChIKey
POAOXBHTJRIMMR-UHFFFAOYSA-N- Molecular formula
- C8H11N5S
- Average molar mass
- 209.27 g/mol
- Monoisotopic mass
- 209.07351655
Names & identifiers
- Preferred name
- N,N-dimethyl-5-methylsulfanyl-1H-pyrazolo[4,5-d]pyrimidin-7-amine
- IUPAC
- N,N-dimethyl-5-methylsulfanyl-1H-pyrazolo[4,5-d]pyrimidin-7-amine
Names & synonyms
6971-24-0NSC19089DTXSID80989869NSC-19089N,N-Dimethyl-5-(methylsulfanyl)-2H-pyrazolo[4,3-d]pyrimidin-7-amine
Database identifiers
- CAS
6971-24-0- PubChem CID
- 227487
- DTXSID
DTXSID80989869
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 83 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 200
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Compound notes
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