Basic information
- CAS
66842-95-3- Standard SMILES
CCCC1(CC=C(C)C)C(=O)NC(=O)NC1=O- InChIKey
UFLPQVDXOVGQAC-UHFFFAOYSA-N- Molecular formula
- C12H18N2O3
- Average molar mass
- 238.28 g/mol
- Monoisotopic mass
- 238.13174244
Names & identifiers
- Preferred name
- Barbituric acid, 5-(3-methyl-2-butenyl)-5-propyl-
- IUPAC
- 5-(3-methylbut-2-enyl)-5-propyl-1,3-diazinane-2,4,6-trione
- English name
- 5-(3-Methyl-2-butenyl)-5-propylbarbituric acid
- Molecular formula
- C12H18N2O3
- Molecular weight
- 238.28
Names & synonyms
BRN 02253625-(3-Methyl-2-butenyl)-5-propylbarbituric acidBARBITURIC ACID, 5-(3-METHYL-2-BUTENYL)-5-PROPYL-66842-95-3DTXSID60216968Acide 5-(gamma,gamma-dimethylallyl) 5-propyl barbiturique [French]4-24-00-02017 (Beilstein Handbook Reference)Acide 5-(gamma,gamma-dimethylallyl) 5-propyl barbituriqueRefChem:320696DTXCID901394595-(3-METHYLBUT-2-EN-1-YL)-5-PROPYL-1,3-DIAZINANE-2,4,6-TRIONE5-(3-Methyl-2-butenyl)-5-propyl-2,4,6(1H,3H,5H)-pyrimidinetrione
Show more names
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(3-methyl-2-buten-1-yl)-5-propyl-
Database identifiers
- CAS
66842-95-3- PubChem CID
- 48149
- DTXSID
DTXSID60216968- Nikkaji
- J105.731F
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 361
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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