Basic information
- CAS
35629-13-1- Standard SMILES
CCCc1nc2c(c(=O)n(C)c(=O)n2C)n1C- InChIKey
QZBGPKHWXRTJLH-UHFFFAOYSA-N- Molecular formula
- C11H16N4O2
- Average molar mass
- 236.27 g/mol
- Monoisotopic mass
- 236.12732577
Names & identifiers
- Preferred name
- 1,3,7-Trimethyl-8-propyl-3,7-dihydro-1h-purine-2,6-dione
- IUPAC
- 1,3,7-trimethyl-8-propylpurine-2,6-dione
Names & synonyms
1,3,7-trimethyl-8-propyl-3,7-dihydro-1h-purine-2,6-dione35629-13-11,3,7-trimethyl-8-propyl-2,3,6,7-tetrahydro-1H-purine-2,6-dioneNSC101813NCIOpen2_006988SCHEMBL15075367DTXSID40295418NSC-101813
Database identifiers
- CAS
35629-13-1- PubChem CID
- 265609
- DTXSID
DTXSID40295418
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 58.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 346
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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