Basic information
- CAS
57563-02-7- Standard SMILES
CCCC(C)C1(CC)C(=O)NC(=O)N(CC)C1=O- InChIKey
LVUIATJGXHHHEV-UHFFFAOYSA-N- Molecular formula
- C13H22N2O3
- Average molar mass
- 254.33 g/mol
- Monoisotopic mass
- 254.16304257
Names & identifiers
- Preferred name
- Barbituric acid, 1,5-diethyl-5-(1-methylbutyl)-
- IUPAC
- 1,5-diethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione
- English name
- 1,5-Diethyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
- Molecular formula
- C13H22N2O3
- Molecular weight
- 254.33
Names & synonyms
57563-02-7BARBITURIC ACID, 1,5-DIETHYL-5-(1-METHYLBUTYL)-RefChem:10774801,5-Diethyl-5-(1-methylbutyl)barbituric acidBRN 02348762,4,6(1H,3H,5H)-Pyrimidinetrione, 1,5-diethyl-5-(1-methylbutyl)-DTXSID909731381,5-Diethyl-5-(1-methylbutyl)-2,4,6(1h,3h,5h)-pyrimidinetrioneDB-3115493,5-Diethyl-6-hydroxy-5-(pentan-2-yl)pyrimidine-2,4(3H,5H)-dione
Database identifiers
- CAS
57563-02-7- PubChem CID
- 42473
- DTXSID
DTXSID90973138- Nikkaji
- J105.466J
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 367
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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