Basic information
- CAS
66968-44-3- Standard SMILES
CCCCC(CC)CC1(C)C(=O)NC(=O)NC1=O- InChIKey
JGUVWCOXXGNIJL-UHFFFAOYSA-N- Molecular formula
- C13H22N2O3
- Average molar mass
- 254.33 g/mol
- Monoisotopic mass
- 254.16304257
Names & identifiers
- Preferred name
- 5-(2-Ethylhexyl)-4,6-dihydroxy-5-methylpyrimidin-2(5H)-one
- IUPAC
- 5-(2-ethylhexyl)-5-methyl-1,3-diazinane-2,4,6-trione
- English name
- 5-(2-Ethylhexyl)-5-methylbarbituric acid
- Molecular formula
- C13H22N2O3
- Molecular weight
- 254.33
Names & synonyms
66968-44-3DTXSID709857545-(2-Ethylhexyl)-4,6-dihydroxy-5-methylpyrimidin-2(5H)-oneRefChem:1072388DTXCID4014129455-(2-Ethylhexyl)-5-methylbarbituric acidBRN 0022761BARBITURIC ACID, 5-(2-ETHYLHEXYL)-5-METHYL-4-24-00-01968 (Beilstein Handbook Reference)5-(2-Ethylhexyl)-5-methyl-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-ethylhexyl)-5-methyl-
Database identifiers
- CAS
66968-44-3- PubChem CID
- 48748
- DTXSID
DTXSID70985754- Nikkaji
- J105.537B
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 332
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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