4-[(M-Chlorophenyl)amino]-1-methyl-1H-pyrazolo[3,4-D]pyrimidine
Basic information
- CAS
5334-67-8- Standard SMILES
Cn1ncc2c(Nc3cccc(Cl)c3)ncnc21- InChIKey
ZCCRCOUBJLJMJO-UHFFFAOYSA-N- Molecular formula
- C12H10ClN5
- Average molar mass
- 259.69 g/mol
- Monoisotopic mass
- 259.062473
Names & identifiers
- Preferred name
- 4-[(M-Chlorophenyl)amino]-1-methyl-1H-pyrazolo[3,4-D]pyrimidine
- IUPAC
- N-(3-chlorophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
Names & synonyms
5334-67-8N-(3-chlorophenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amineNSC14524-[(M-CHLOROPHENYL)AMINO]-1-METHYL-1H-PYRAZOLO[3,4-D]PYRIMIDINESCHEMBL4052839DTXSID20967964HMS3535J17NSC-1452STK792690AKOS001364227CCG-199509SR-01000017284
Show more names
SR-01000017284-1BRD-K62009485-001-01-3Z204264148N-(3-chlorophenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine--hydrogen chloride (1/1)
Database identifiers
- CAS
5334-67-8- PubChem CID
- 219779
- DTXSID
DTXSID20967964
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 290
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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