Basic information
- CAS
66968-87-4- Standard SMILES
CCC1(CC=C(C)C)C(=O)NC(=O)N(C)C1=O- InChIKey
QRTUCQRSZOGCBS-UHFFFAOYSA-N- Molecular formula
- C12H18N2O3
- Average molar mass
- 238.28 g/mol
- Monoisotopic mass
- 238.13174244
Names & identifiers
- Preferred name
- Barbituric acid, 5-ethyl-1-methyl-5-(3-methyl-2-butenyl)-
- IUPAC
- 5-ethyl-1-methyl-5-(3-methylbut-2-enyl)-1,3-diazinane-2,4,6-trione
- English name
- 5-Ethyl-1-methyl-5-(3-methyl-2-butenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
- Molecular formula
- C12H18N2O3
- Molecular weight
- 238.28
Names & synonyms
66968-87-4BARBITURIC ACID, 5-ETHYL-1-METHYL-5-(3-METHYL-2-BUTENYL)-RefChem:1077647BRN 00220275-Ethyl-1-methyl-5-(3-methyl-2-butenyl)barbituric acidNSC1257895-ethyl-1-methyl-5-(3-methylbut-2-enyl)-1,3-diazinane-2,4,6-trioneDTXSID101384452NSC 125789NSC-1257892,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-1-methyl-5-(3-methyl-2-butenyl)-5-Ethyl-1-methyl-5-(3-methyl-2-butenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
Show more names
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-1-methyl-5-(3-methyl-2-buten-1-yl)-
Database identifiers
- CAS
66968-87-4- PubChem CID
- 48802
- DTXSID
DTXSID101384452- Nikkaji
- J105.596H
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 397
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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