Basic information
- Standard SMILES
Cn1c(CC=O)nc2c(N3CCOCC3)nc(Cl)nc21- InChIKey
HKYDHOKGAQKABK-UHFFFAOYSA-N- Molecular formula
- C12H14ClN5O2
- Average molar mass
- 295.72 g/mol
Names & identifiers
- Preferred name
- (2-chloro-9-methyl-6-morpholin-4-yl-9H-purin-8-yl)acetaldehyde
- IUPAC
- 2-(2-chloro-9-methyl-6-morpholin-4-ylpurin-8-yl)acetaldehyde
Names & synonyms
SCHEMBL2673761HKYDHOKGAQKABK-UHFFFAOYSA-N(2-chloro-9-methyl-6-morpholin-4-yl-9H-purin-8-yl)acetaldehyde
Database identifiers
- PubChem CID
- 59605819
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 73.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 355
Related reactions
45 records
Compound notes
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