6-Methyl-1-phenyl-n-[3-(propan-2-yloxy)propyl]-1h-pyrazolo[3,4-d]pyrimidin-4-amine
Basic information
- CAS
5444-69-9- Standard SMILES
Cc1nc(NCCCOC(C)C)c2cnn(-c3ccccc3)c2n1- InChIKey
TTWIHEDDULOQOM-UHFFFAOYSA-N- Molecular formula
- C18H23N5O
- Average molar mass
- 325.4 g/mol
- Monoisotopic mass
- 325.19026037
Names & identifiers
- Preferred name
- 6-Methyl-1-phenyl-n-[3-(propan-2-yloxy)propyl]-1h-pyrazolo[3,4-d]pyrimidin-4-amine
- IUPAC
- 6-methyl-1-phenyl-N-(3-propan-2-yloxypropyl)pyrazolo[3,4-d]pyrimidin-4-amine
Names & synonyms
5444-69-9NSC191446-methyl-1-phenyl-n-[3-(propan-2-yloxy)propyl]-1h-pyrazolo[3,4-d]pyrimidin-4-amineDTXSID40280945NSC-191446-Methyl-1-phenyl-N-{3-[(propan-2-yl)oxy]propyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Database identifiers
- CAS
5444-69-9- PubChem CID
- 227535
- DTXSID
DTXSID40280945
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 64.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 374
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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