Basic information
- CAS
67050-26-4- Standard SMILES
CCC(C)C1(CC)C(=O)NC(=O)N(C)C1=O- InChIKey
YYDYCOYEAOTLGT-UHFFFAOYSA-N- Molecular formula
- C11H18N2O3
- Average molar mass
- 226.27 g/mol
- Monoisotopic mass
- 226.13174244
Names & identifiers
- Preferred name
- 5-(Butan-2-yl)-5-ethyl-6-hydroxy-3-methylpyrimidine-2,4(3H,5H)-dione
- IUPAC
- 5-butan-2-yl-5-ethyl-1-methyl-1,3-diazinane-2,4,6-trione
- English name
- 5-butan-2-yl-5-ethyl-1-methyl-1,3-diazinane-2,4,6-trione
- Molecular formula
- C11H18N2O3
- Molecular weight
- 0
Names & synonyms
67050-26-4DTXSID809860355-(Butan-2-yl)-5-ethyl-6-hydroxy-3-methylpyrimidine-2,4(3H,5H)-dioneRefChem:1072503DTXCID701413223N-Methylbutabarbital5-sec-Butyl-5-ethyl-1-methylbarbituric acidBRN 0202152BARBITURIC ACID, 5-sec-BUTYL-5-ETHYL-1-METHYL-4-24-00-01944 (Beilstein Handbook Reference)5-butan-2-yl-5-ethyl-1-methyl-1,3-diazinane-2,4,6-trione
Database identifiers
- CAS
67050-26-4- PubChem CID
- 49178
- DTXSID
DTXSID80986035- Nikkaji
- J62.425J
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 340
Physicochemical properties
- Boiling point
- 367.89 °C · 367.89°C (rough estimate)
- Density
- 1.1376 · 1.1376 (rough estimate)
- refractive index
- 1.462 · 1.4620 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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