6-Chloro-n,1-dimethyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine
Basic information
- CAS
5326-77-2- Standard SMILES
CNc1nc(Cl)nc2c1cnn2C- InChIKey
KTBJQNWGZYGMEI-UHFFFAOYSA-N- Molecular formula
- C7H8ClN5
- Average molar mass
- 197.62 g/mol
- Monoisotopic mass
- 197.046823
Names & identifiers
- Preferred name
- 6-Chloro-n,1-dimethyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine
- IUPAC
- 6-chloro-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
Names & synonyms
6-chloro-n,1-dimethyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine5326-77-2CHEMBL4217231NSC4069SCHEMBL13828311DTXSID90967830NSC-4069BDBM50452203D07
Database identifiers
- CAS
5326-77-2- PubChem CID
- 220780
- DTXSID
DTXSID90967830- ChEMBL
CHEMBL4217231
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 190
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Compound notes
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