Basic information
- CAS
79644-91-0- Standard SMILES
CCn1cnc2c(NC(C)=O)ncnc21- InChIKey
IFNRWVWGORSDDJ-UHFFFAOYSA-N- Molecular formula
- C9H11N5O
- Average molar mass
- 205.22 g/mol
- Monoisotopic mass
- 205.09635999
Names & identifiers
- Preferred name
- N-(9-Ethyl-9H-purin-6-yl)acetamide
- IUPAC
- N-(9-ethylpurin-6-yl)acetamide
Names & synonyms
N-(9-Ethyl-9H-purin-6-yl)acetamide79644-91-0N-(9-ethylpurin-6-yl)acetamideNSC688362CHEMBL1985536DTXSID50327810NSC-688362NCI60_031919
Database identifiers
- CAS
79644-91-0- PubChem CID
- 390720
- DTXSID
DTXSID50327810- ChEMBL
CHEMBL1985536
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 72.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 247
Experimental & physicochemical properties
LogP-0.41
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…