Basic information
- CAS
69353-40-8- Standard SMILES
CCC1(Cc2ccc3c(c2)OCO3)C(=O)NC(=O)NC1=O- InChIKey
SLFLGMGVCIIKID-UHFFFAOYSA-N- Molecular formula
- C14H14N2O5
- Average molar mass
- 290.27 g/mol
- Monoisotopic mass
- 290.09027155
Names & identifiers
- Preferred name
- Barbituric acid, 5-ethyl-5-piperonyl-
- IUPAC
- 5-(1,3-benzodioxol-5-ylmethyl)-5-ethyl-1,3-diazinane-2,4,6-trione
- English name
- 5-Ethyl-5-piperonyl-2,4,6(1H,3H,5H)-pyrimidinetrione
- Molecular weight
- 0
Names & synonyms
Piperonylethylbarbituric acidBARBITURIC ACID, 5-ETHYL-5-PIPERONYL-BRN 030751369353-40-8Ethyl(3,4-methylenedioxybenzyl)barbituric acidDTXSID802194362-27-00-00908 (Beilstein Handbook Reference)RefChem:320848DTXCID001419275-[(2H-1,3-benzodioxol-5-yl)methyl]-5-ethyl-1,3-diazinane-2,4,6-trione5-Ethyl-5-piperonylbarbituric acid5-Ethyl-5-piperonyl-2,4,6(1H,3H,5H)-pyrimidinetrione
Database identifiers
- CAS
69353-40-8- PubChem CID
- 50438
- DTXSID
DTXSID80219436- Nikkaji
- J105.628J
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 93.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 458
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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