Basic information
- CAS
66984-61-0- Standard SMILES
CCOC(C)C1(CCC(C)C)C(=O)NC(=O)NC1=O- InChIKey
CMIXWYUXKFXUEY-UHFFFAOYSA-N- Molecular formula
- C13H22N2O4
- Average molar mass
- 270.32 g/mol
- Monoisotopic mass
- 270.15795719
Names & identifiers
- Preferred name
- Barbituric acid, 5-(1-ethoxyethyl)-5-isopentyl-
- IUPAC
- 5-(1-ethoxyethyl)-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione
- English name
- 5-(1-Ethoxyethyl)-5-isopentylbarbituric acid
- Molecular formula
- C13H22N2O4
- Molecular weight
- 270.32
Names & synonyms
66984-61-0BARBITURIC ACID, 5-(1-ETHOXYETHYL)-5-ISOPENTYL-RefChem:10775375-(1-Ethoxyethyl)-5-isopentylbarbituric acidBRN 02617014-25-00-00451 (Beilstein Handbook Reference)DTXSID509857925-(1-Ethoxyethyl)-4,6-dihydroxy-5-(3-methylbutyl)pyrimidin-2(5H)-one5-(1-Ethoxyethyl)-5-isopentyl-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-ethoxyethyl)-5-(3-methylbutyl)-
Database identifiers
- CAS
66984-61-0- PubChem CID
- 48822
- DTXSID
DTXSID50985792- Nikkaji
- J105.506B
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 359
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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