1-(4-Chloro-2-methylphenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
Basic information
- CAS
58791-64-3- Standard SMILES
Cc1cc(Cl)ccc1-n1nc(C)c2c(N)nc(N)nc21- InChIKey
BSVJOFRCFKVGSP-UHFFFAOYSA-N- Molecular formula
- C13H13ClN6
- Average molar mass
- 288.73 g/mol
- Monoisotopic mass
- 288.0890221
Names & identifiers
- Preferred name
- 1-(4-Chloro-2-methylphenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
- IUPAC
- 1-(4-chloro-2-methylphenyl)-3-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
Names & synonyms
58791-64-3NSC361881DTXSID00320614NSC-3618811-(4-Chloro-2-methylphenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
Database identifiers
- CAS
58791-64-3- PubChem CID
- 338655
- DTXSID
DTXSID00320614
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 95.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 356
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…