Basic information
- Standard SMILES
Cn1c(CN2CC3CC2CO3)nc2c(N3CCOCC3)nc(Cl)nc21- InChIKey
TXQPKUBPNHOMCS-UHFFFAOYSA-N- Molecular formula
- C16H21ClN6O2
- Average molar mass
- 364.8 g/mol
Names & identifiers
- Preferred name
- 2-((2-chloro-9-methyl-6-morpholino-9H-purin-8-yl)methyl)-5-oxa-2-aza-bicyclo[2.2.1]heptane
- IUPAC
- 5-[(2-chloro-9-methyl-6-morpholin-4-ylpurin-8-yl)methyl]-2-oxa-5-azabicyclo[2.2.1]heptane
Names & synonyms
SCHEMBL2674414TXQPKUBPNHOMCS-UHFFFAOYSA-N2-((2-chloro-9-methyl-6-morpholino-9H-purin-8-yl)methyl)-5-oxa-2-aza-bicyclo[2.2.1]heptane
Database identifiers
- PubChem CID
- 86648262
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 495
Related reactions
3 records
Compound notes
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