5-Ethyl-5-(hexan-2-yl)-1-methylpyrimidine-2,4,6(1H,3H,5H)-trione
Basic information
- CAS
66968-88-5- Standard SMILES
CCCCC(C)C1(CC)C(=O)NC(=O)N(C)C1=O- InChIKey
MBMIGSDXEZZZQF-UHFFFAOYSA-N- Molecular formula
- C13H22N2O3
- Average molar mass
- 254.33 g/mol
- Monoisotopic mass
- 254.16304257
Names & identifiers
- Preferred name
- 5-Ethyl-5-(hexan-2-yl)-1-methylpyrimidine-2,4,6(1H,3H,5H)-trione
- IUPAC
- 5-ethyl-5-hexan-2-yl-1-methyl-1,3-diazinane-2,4,6-trione
- English name
- 5-Ethyl-1-methyl-5-(1-methylpentyl)barbituric acid
- Molecular formula
- C13H22N2O3
- Molecular weight
- 254.33
Names & synonyms
66968-88-5DTXSID202755315-ethyl-5-(hexan-2-yl)-1-methyl-1,3-diazinane-2,4,6-trione5-Ethyl-5-(hexan-2-yl)-1-methylpyrimidine-2,4,6(1H,3H,5H)-trione5-Ethyl-1-methyl-5-(1-methylpentyl)barbituric acid5-Ethyl-1-methyl-5-(1-methylpentyl)-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-1-methyl-5-(1-methylpentyl)-
Database identifiers
- CAS
66968-88-5- PubChem CID
- 48803
- DTXSID
DTXSID20275531- Nikkaji
- J105.598D
Properties
Computed structural properties
- XLogP
- 3
- 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
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Compound notes
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