Barbituric acid, 5-ethyl-5-(4-(1-pyrrolidinyl)-2-butynyl)-
Basic information
- CAS
1153-13-5- Standard SMILES
CCC1(CC#CCN2CCCC2)C(=O)NC(=O)NC1=O- InChIKey
ZKEHPXDIQKWNOW-UHFFFAOYSA-N- Molecular formula
- C14H19N3O3
- Average molar mass
- 277.32 g/mol
- Monoisotopic mass
- 277.14264148
Names & identifiers
- Preferred name
- Barbituric acid, 5-ethyl-5-(4-(1-pyrrolidinyl)-2-butynyl)-
- IUPAC
- 5-ethyl-5-(4-pyrrolidin-1-ylbut-2-ynyl)-1,3-diazinane-2,4,6-trione
Names & synonyms
BARBITURIC ACID, 5-ETHYL-5-(4-(1-PYRROLIDINYL)-2-BUTYNYL)-1153-13-5BRN 09267945-Ethyl-5-(4-pyrrolidino-2-butynyl)barbituric acid5-Ethyl-5-(4-(1-pyrrolidinyl)-2-butynyl)barbituric acidDTXSID301510395-ETHYL-5-[4-(PYRROLIDIN-1-YL)BUT-2-YN-1-YL]-1,3-DIAZINANE-2,4,6-TRIONE
Database identifiers
- CAS
1153-13-5- PubChem CID
- 14384
- DTXSID
DTXSID30151039
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 78.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 474
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Compound notes
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