n,1-Bis(2-chlorophenyl)-6-methyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine
Basic information
- CAS
5346-52-1- Standard SMILES
Cc1nc(Nc2ccccc2Cl)c2cnn(-c3ccccc3Cl)c2n1- InChIKey
QFFURNYBKTYKKT-UHFFFAOYSA-N- Molecular formula
- C18H13Cl2N5
- Average molar mass
- 370.2 g/mol
- Monoisotopic mass
- 369.0548008
Names & identifiers
- Preferred name
- n,1-Bis(2-chlorophenyl)-6-methyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine
- IUPAC
- N,1-bis(2-chlorophenyl)-6-methylpyrazolo[3,4-d]pyrimidin-4-amine
Names & synonyms
5346-52-1NSC1628n,1-bis(2-chlorophenyl)-6-methyl-1h-pyrazolo[3,4-d]pyrimidin-4-amineDTXSID70277308NSC-16284-(2-CHLOROANILINO)-1-(2-CHLOROPHENYL)-6-METHYL-1H-PYRAZOLO[3,4-D]PYRIMIDINE
Database identifiers
- CAS
5346-52-1- PubChem CID
- 219848
- DTXSID
DTXSID70277308
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 453
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…