Basic information
- Standard SMILES
Cc1nc(-c2cc(C3OCCO3)cnc2F)c2ncn(C3CCCCO3)c2n1- InChIKey
BBBWTFPCPFJWNM-UHFFFAOYSA-N- Molecular formula
- C19H20FN5O3
- Average molar mass
- 385.4 g/mol
Names & identifiers
- Preferred name
- 6-(5-(1,3-dioxolan-2-yl)-2-fluoropyridin-3-yl)-2-methyl-9-(tetrahydro-2H-pyran-2-yl)-9H-purine
- IUPAC
- 6-[5-(1,3-dioxolan-2-yl)-2-fluoro-3-pyridinyl]-2-methyl-9-(oxan-2-yl)purine
Names & synonyms
SCHEMBL166953BBBWTFPCPFJWNM-UHFFFAOYSA-N6-(5-(1,3-dioxolan-2-yl)-2-fluoropyridin-3-yl)-2-methyl-9-(tetrahydro-2H-pyran-2-yl)-9H-purine
Database identifiers
- PubChem CID
- 66611486
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 540
Related reactions
5 records
Compound notes
Loading…