Basic information
- CAS
52944-67-9- Standard SMILES
CCCC(C)C1(CCC)C(=O)NC(=O)NC1=O- InChIKey
KUQQSUICJVLDOC-UHFFFAOYSA-N- Molecular formula
- C12H20N2O3
- Average molar mass
- 240.3 g/mol
- Monoisotopic mass
- 240.1473925
Names & identifiers
- Preferred name
- Barbituric acid, 5-(1-methylbutyl)-5-propyl-
- IUPAC
- 5-pentan-2-yl-5-propyl-1,3-diazinane-2,4,6-trione
- English name
- 5-(1-Methylbutyl)-5-propylbarbituric acid
- Molecular formula
- C12H20N2O3
- Molecular weight
- 240.3
Names & synonyms
52944-67-9BARBITURIC ACID, 5-(1-METHYLBUTYL)-5-PROPYL-RefChem:10775495-(1-Methylbutyl)-5-propylbarbituric acidBRN 0225713NSC126541DTXSID10967418NSC-126541DB-3061244,6-Dihydroxy-5-(pentan-2-yl)-5-propylpyrimidin-2(5H)-one5-(1-Methylbutyl)-5-propyl-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylbutyl)-5-propyl-
Database identifiers
- CAS
52944-67-9- PubChem CID
- 40593
- DTXSID
DTXSID10967418- Nikkaji
- J105.734K
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 319
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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