5-(1,3-Dimethyl-2-butenyl)-5-ethylbarbituric acid
Basic information
- CAS
3625-18-1- Standard SMILES
CCC1(C(C)C=C(C)C)C(=O)NC(=O)NC1=O- InChIKey
VELIJARCYHAWJO-UHFFFAOYSA-N- Molecular formula
- C12H18N2O3
- Average molar mass
- 238.28 g/mol
- Monoisotopic mass
- 238.13174244
Names & identifiers
- Preferred name
- 5-(1,3-Dimethyl-2-butenyl)-5-ethylbarbituric acid
- IUPAC
- 5-ethyl-5-(4-methylpent-3-en-2-yl)-1,3-diazinane-2,4,6-trione
Names & synonyms
5-(1,3-Dimethyl-2-butenyl)-5-ethylbarbituric acid3625-18-1NSC-42268BARBITURIC ACID, 5-(1,3-DIMETHYL-2-BUTENYL)-5-ETHYL-6T26PV8QXMRefChem:1072333McN-481Mcneil 481NSC 42268NSC422682,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1,3-dimethyl-2-butenyl)-5-ethyl-DTXSID801385213
Show more names
WLN: T6VMVMV FHJ FY1&Y1&1 F2Barbituric acid,3-dimethyl-2-butenyl)-5-ethyl-2,6(1H,3H,5H)-Pyrimidinetrione, 5-(1,3-dimethyl-2-butenyl)-5-ethyl-2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1,3-dimethyl-2-buten-1-yl)-5-ethyl-5-(1,3-Dimethyl-2-buten-1-yl)-5-ethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
Database identifiers
- CAS
3625-18-1- PubChem CID
- 19251
- DTXSID
DTXSID801385213- UNII
- 6T26PV8QXM
- Nikkaji
- J13.684K
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 375
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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