Basic information
- Standard SMILES
Nc1ncnc2[nH]nc(-c3ccc4c(c3)CCO4)c12- InChIKey
OLGWVUQDXVPUKO-UHFFFAOYSA-N- Molecular formula
- C13H11N5O
- Average molar mass
- 253.26 g/mol
- Monoisotopic mass
- 253.09635999
Names & identifiers
- Preferred name
- 3-(2,3-dihydrobenzofuran-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
- IUPAC
- 3-(2,3-dihydro-1-benzofuran-5-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
Names & synonyms
SCHEMBL10802OLGWVUQDXVPUKO-UHFFFAOYSA-N3-(2,3-dihydrobenzofuran-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Database identifiers
- PubChem CID
- 53234612
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 89.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 341
Related reactions
3 records
Compound notes
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