Basic information
- CAS
66940-87-2- Standard SMILES
CCC1(CC)C(=O)NC(=O)N(CCC(C)C)C1=O- InChIKey
ANRPSQFFIAOJMI-UHFFFAOYSA-N- Molecular formula
- C13H22N2O3
- Average molar mass
- 254.33 g/mol
- Monoisotopic mass
- 254.16304257
Names & identifiers
- Preferred name
- Barbituric acid, 5,5-diethyl-1-isopentyl-
- IUPAC
- 5,5-diethyl-1-(3-methylbutyl)-1,3-diazinane-2,4,6-trione
- English name
- 5,5-Diethyl-1-isopentylbarbituric acid
- Molecular formula
- C13H22N2O3
- Molecular weight
- 254.33
Names & synonyms
BARBITURIC ACID, 5,5-DIETHYL-1-ISOPENTYL-66940-87-25,5-Diethyl-1-isopentylbarbituric acidBRN 02343725,5-diethyl-1-(3-methylbutyl)-1,3-diazinane-2,4,6-trioneDTXSID102171025,5-Diethyl-1-isopentyl-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-diethyl-1-(3-methylbutyl)-
Database identifiers
- CAS
66940-87-2- PubChem CID
- 48435
- DTXSID
DTXSID10217102- Nikkaji
- J105.459G
Properties
Computed structural properties
- XLogP
- 2.8
- 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
- 359
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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