5-(6-Amino-9h-purin-9-yl)-4-ethyl-3-methylfuran-2(5h)-one
Basic information
- CAS
26212-27-1- Standard SMILES
CCC1=C(C)C(=O)OC1n1cnc2c(N)ncnc21- InChIKey
ZZEAKCXQBIFVOU-UHFFFAOYSA-N- Molecular formula
- C12H13N5O2
- Average molar mass
- 259.26 g/mol
- Monoisotopic mass
- 259.10692467
Names & identifiers
- Preferred name
- 5-(6-Amino-9h-purin-9-yl)-4-ethyl-3-methylfuran-2(5h)-one
- IUPAC
- 2-(6-aminopurin-9-yl)-3-ethyl-4-methyl-2H-furan-5-one
Names & synonyms
26212-27-1NSC1322925-(6-amino-9h-purin-9-yl)-4-ethyl-3-methylfuran-2(5h)-one2-(6-aminopurin-9-yl)-3-ethyl-4-methyl-2H-furan-5-oneDTXSID20299717NSC-132292
Database identifiers
- CAS
26212-27-1- PubChem CID
- 280547
- DTXSID
DTXSID20299717
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 424
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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