Basic information
- CAS
67050-46-8- Standard SMILES
CCCCC1(CC=C(C)C)C(=O)NC(=O)NC1=O- InChIKey
ZLIAEIMDLFSHJY-UHFFFAOYSA-N- Molecular formula
- C13H20N2O3
- Average molar mass
- 252.31 g/mol
- Monoisotopic mass
- 252.1473925
Names & identifiers
- Preferred name
- Barbituric acid, 5-butyl-5-(3-methyl-2-butenyl)-
- IUPAC
- 5-butyl-5-(3-methylbut-2-enyl)-1,3-diazinane-2,4,6-trione
- English name
- 5-Butyl-5-(3-methyl-2-butenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
- Molecular formula
- C13H20N2O3
- Molecular weight
- 252.31
Names & synonyms
BRN 0233081BARBITURIC ACID, 5-BUTYL-5-(3-METHYL-2-BUTENYL)-5-Butyl-5-(3-methyl-2-butenyl)barbituric acid67050-46-8DTXSID902173474-24-00-02027 (Beilstein Handbook Reference)RefChem:320789DTXCID90139838CHEMBL5033165-butyl-5-(3-methylbut-2-en-1-yl)-1,3-diazinane-2,4,6-trione5-Butyl-5-(3-methyl-2-butenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-butyl-5-(3-methyl-2-buten-1-yl)-
Database identifiers
- CAS
67050-46-8- PubChem CID
- 49202
- DTXSID
DTXSID90217347- ChEMBL
CHEMBL503316- Nikkaji
- J93.562J
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 375
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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