Basic information
- CAS
6971-23-9- Standard SMILES
Cn1ncc2c(Nc3ccccc3Cl)nc(Nc3ccccc3Cl)nc21- InChIKey
NOPGOGLCTNBNTE-UHFFFAOYSA-N- Molecular formula
- C18H14Cl2N6
- Average molar mass
- 385.2 g/mol
- Monoisotopic mass
- 384.0656999
Names & identifiers
- Preferred name
- N4,N6-Bis(2-chlorophenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
- IUPAC
- 4-N,6-N-bis(2-chlorophenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
Names & synonyms
NSC19061MLS0007378466971-23-9CHEMBL1302656DTXSID20989868HMS2886P11NSC-19061ZINC01562304N4,N6-Bis(2-chlorophenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamineSMR000528185N-(2-Chlorophenyl)-6-[(2-chlorophenyl)imino]-1-methyl-5,6-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Database identifiers
- CAS
6971-23-9- PubChem CID
- 227464
- DTXSID
DTXSID20989868- ChEMBL
CHEMBL1302656
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 67.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 469
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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