1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Basic information
- CAS
91086-75-8- Standard SMILES
Nc1ncnc2c1cnn2C1CCCCO1- InChIKey
PUSIJCPBROTHKO-UHFFFAOYSA-N- Molecular formula
- C10H13N5O
- Average molar mass
- 219.24 g/mol
- Monoisotopic mass
- 219.11201006
Names & identifiers
- Preferred name
- 1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
- IUPAC
- 1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
Names & synonyms
91086-75-81-(tetrahydro-2H-pyran-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine1-(Oxan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amineNSC44594DTXSID20286288NSC-44594
Database identifiers
- CAS
91086-75-8- PubChem CID
- 239497
- DTXSID
DTXSID20286288
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 251
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Compound notes
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