N-butyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Basic information
- CAS
68380-52-9- Standard SMILES
CCCCNc1ncnc2c1cnn2-c1ccccc1- InChIKey
GINHYDUSSMVIEH-UHFFFAOYSA-N- Molecular formula
- C15H17N5
- Average molar mass
- 267.33 g/mol
- Monoisotopic mass
- 267.14839556
Names & identifiers
- Preferred name
- N-butyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
- IUPAC
- N-butyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
Names & synonyms
N-butyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amineMLS000108084N-butyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amineSMR000104047NSC1433CBMicro_029079Cambridge id 5715590cid_219760CHEMBL1409043REGID_for_CID_219760BDBM49325DTXSID80987926
Show more names
HMS2182N074-(BUTYLAMINO)-1-PHENYL-1H-PYRAZOLO[3,4-D]PYRIMIDINENSC-1433STK874060AKOS005167080BIM-0029001.P001ST50985445N-butyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinamine
Database identifiers
- CAS
68380-52-9- PubChem CID
- 219760
- DTXSID
DTXSID80987926- ChEMBL
CHEMBL1409043- Nikkaji
- J1.856.648F
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 292
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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