Basic information
- CAS
66968-46-5- Standard SMILES
CCC1(CC=C(C)C)C(=O)N=C(N)NC1=O- InChIKey
WGGNBWUUWRPJTF-UHFFFAOYSA-N- Molecular formula
- C11H17N3O2
- Average molar mass
- 223.27 g/mol
- Monoisotopic mass
- 223.13207679
Names & identifiers
- Preferred name
- Barbituric acid, 5-ethyl-2-imino-5-(3-methyl-2-butenyl)-
- IUPAC
- 2-amino-5-ethyl-5-(3-methylbut-2-enyl)-1H-pyrimidine-4,6-dione
Names & synonyms
66968-46-5DTXSID80217174BARBITURIC ACID, 5-ETHYL-2-IMINO-5-(3-METHYL-2-BUTENYL)-RefChem:320804DTXCID801396654-25-00-04186 (Beilstein Handbook Reference)5-Ethyl-2-imino-5-(3-methyl-2-butenyl)barbituric acidBRN 02001052-amino-5-ethyl-5-(3-methylbut-2-en-1-yl)pyrimidine-4,6(1H,5H)-dione
Database identifiers
- CAS
66968-46-5- PubChem CID
- 48751
- DTXSID
DTXSID80217174
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 84.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 381
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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