Basic information
- CAS
66968-92-1- Standard SMILES
CCCCC(C)C1(CC)C(=O)NC(=O)NC1=O- InChIKey
ACIMHKHXKIDXMW-UHFFFAOYSA-N- Molecular formula
- C12H20N2O3
- Average molar mass
- 240.3 g/mol
- Monoisotopic mass
- 240.1473925
Names & identifiers
- Preferred name
- 5-Ethyl-5-(hexan-2-yl)pyrimidine-2,4,6(1H,3H,5H)-trione
- IUPAC
- 5-ethyl-5-hexan-2-yl-1,3-diazinane-2,4,6-trione
- English name
- 5-Ethyl-5-(1-methylpentyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
- Molecular formula
- C12H20N2O3
- Molecular weight
- 240.3
Names & synonyms
66968-92-1NSC1265465-ethyl-5-(hexan-2-yl)-1,3-diazinane-2,4,6-trioneDTXSID802755325-Ethyl-5-(hexan-2-yl)pyrimidine-2,4,6(1H,3H,5H)-trioneNSC126537NSC-126537NSC-1265465-Ethyl-5-(1-methylpentyl)barbituric acid5-Ethyl-5-(1-methylpentyl)-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(1-methylpentyl)-
Database identifiers
- CAS
66968-92-1- PubChem CID
- 48807
- DTXSID
DTXSID80275532- Nikkaji
- J105.604B
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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