Basic information
- CAS
66968-53-4- Standard SMILES
CCC1(C(C)OCCC(C)C)C(=O)NC(=O)NC1=O- InChIKey
SJIGGVBQLZENRJ-UHFFFAOYSA-N- Molecular formula
- C13H22N2O4
- Average molar mass
- 270.32 g/mol
- Monoisotopic mass
- 270.15795719
Names & identifiers
- Preferred name
- Barbituric acid, 5-ethyl-5-(1-isopentoxyethyl)-
- IUPAC
- 5-ethyl-5-[1-(3-methylbutoxy)ethyl]-1,3-diazinane-2,4,6-trione
- English name
- 5-Ethyl-5-(1-isopentyloxyethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
- Molecular formula
- C13H22N2O4
- Molecular weight
- 270.32
Names & synonyms
BRN 02615285-Ethyl-5-(1-isopentoxyethyl)barbituric acidBarbituric acid, 5-ethyl-5-(1-isopentyloxyethyl)-BARBITURIC ACID, 5-ETHYL-5-(1-ISOPENTOXYETHYL)-66968-53-44-25-00-00436 (Beilstein Handbook Reference)RefChem:320819DTXSID709857595-Ethyl-4,6-dihydroxy-5-[1-(3-methylbutoxy)ethyl]pyrimidin-2(5H)-one5-Ethyl-5-(1-isopentyloxyethyl)barbituric acid5-Ethyl-5-(1-isopentyloxyethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-[1-(3-methylbutoxy)ethyl]-
Database identifiers
- CAS
66968-53-4- PubChem CID
- 48759
- DTXSID
DTXSID70985759- Nikkaji
- J105.552F
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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