Basic information
- CAS
67051-19-8- Standard SMILES
CCCCCCC1(C)C(=O)NC(=O)NC1=O- InChIKey
BBSDVVRSFGDPJH-UHFFFAOYSA-N- Molecular formula
- C11H18N2O3
- Average molar mass
- 226.27 g/mol
- Monoisotopic mass
- 226.13174244
Names & identifiers
- Preferred name
- Barbituric acid, 5-hexyl-5-methyl-
- IUPAC
- 5-hexyl-5-methyl-1,3-diazinane-2,4,6-trione
- English name
- 5-Hexyl-5-methyl-2,4,6(1H,3H,5H)-pyrimidinetrione
- Molecular weight
- 0
Names & synonyms
5-Hexyl-5-methylbarbituric acidBARBITURIC ACID, 5-HEXYL-5-METHYL-BRN 021023467051-19-8DTXSID602173544-24-00-01950 (Beilstein Handbook Reference)RefChem:320852DTXCID601398455-hexyl-5-methyl-1,3-diazinane-2,4,6-trione5-Hexyl-5-methyl-2,4,6(1H,3H,5H)-pyrimidinetrione
Database identifiers
- CAS
67051-19-8- PubChem CID
- 49290
- DTXSID
DTXSID60217354- Nikkaji
- J105.662J
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 292
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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