n-Tert-butyl-6-chloro-1-phenyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine
Basic information
- CAS
5414-05-1- Standard SMILES
CC(C)(C)Nc1nc(Cl)nc2c1cnn2-c1ccccc1- InChIKey
YXPGNIHEYNVAAI-UHFFFAOYSA-N- Molecular formula
- C15H16ClN5
- Average molar mass
- 301.77 g/mol
- Monoisotopic mass
- 301.1094232
Names & identifiers
- Preferred name
- n-Tert-butyl-6-chloro-1-phenyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine
- IUPAC
- N-tert-butyl-6-chloro-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
Names & synonyms
5414-05-1NSC7882n-tert-butyl-6-chloro-1-phenyl-1h-pyrazolo[3,4-d]pyrimidin-4-amineDTXSID00278525NSC-7882
Database identifiers
- CAS
5414-05-1- PubChem CID
- 222263
- DTXSID
DTXSID00278525
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 352
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Compound notes
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