Basic information
- CAS
66941-00-2- Standard SMILES
CCC(CC)C1(C)C(=O)NC(=O)N(C)C1=O- InChIKey
UOYFVXJIGHQGPI-UHFFFAOYSA-N- Molecular formula
- C11H18N2O3
- Average molar mass
- 226.27 g/mol
- Monoisotopic mass
- 226.13174244
Names & identifiers
- Preferred name
- 6-Hydroxy-3,5-dimethyl-5-(pentan-3-yl)pyrimidine-2,4(3H,5H)-dione
- IUPAC
- 1,5-dimethyl-5-pentan-3-yl-1,3-diazinane-2,4,6-trione
- English name
- 1,5-Dimethyl-5-(1-ethylpropyl)barbituric acid
- Molecular weight
- 0
Names & synonyms
66941-00-2DTXSID009856416-Hydroxy-3,5-dimethyl-5-(pentan-3-yl)pyrimidine-2,4(3H,5H)-dioneRefChem:1073973DTXCID2014128321,5-Dimethyl-5-(1-ethylpropyl)barbituric acidBRN 0205458BARBITURIC ACID, 1,5-DIMETHYL-5-(1-ETHYLPROPYL)-1,5-Dimethyl-5-(1-ethylpropyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
Database identifiers
- CAS
66941-00-2- PubChem CID
- 48448
- DTXSID
DTXSID00985641- Nikkaji
- J105.478C
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 336
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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