Basic information
- CAS
66968-35-2- Standard SMILES
CCC(CC)C1(CC)C(=O)NC(=O)N(C)C1=O- InChIKey
AUTKAHPILHUZRF-UHFFFAOYSA-N- Molecular formula
- C12H20N2O3
- Average molar mass
- 240.3 g/mol
- Monoisotopic mass
- 240.1473925
Names & identifiers
- Preferred name
- Barbituric acid, 5-ethyl-5-(1-ethylpropyl)-1-methyl-
- IUPAC
- 5-ethyl-1-methyl-5-pentan-3-yl-1,3-diazinane-2,4,6-trione
- English name
- 5-Ethyl-5-(1-ethylpropyl)-1-methylbarbituric acid
- Molecular formula
- C12H20N2O3
- Molecular weight
- 240.3
Names & synonyms
66968-35-2BARBITURIC ACID, 5-ETHYL-5-(1-ETHYLPROPYL)-1-METHYL-RefChem:1077654BRN 02325805-Ethyl-5-(1-ethylpropyl)-1-methylbarbituric acid4-24-00-01961 (Beilstein Handbook Reference)DTXSID209857495-Ethyl-6-hydroxy-3-methyl-5-(pentan-3-yl)pyrimidine-2,4(3H,5H)-dione5-Ethyl-5-(1-ethylpropyl)-1-methyl-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(1-ethylpropyl)-1-methyl-
Database identifiers
- CAS
66968-35-2- PubChem CID
- 48734
- DTXSID
DTXSID20985749- Nikkaji
- J105.525I
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 350
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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