Basic information
- CAS
66942-03-8- Standard SMILES
CCC1(COCc2ccccc2)C(=O)NC(=O)NC1=O- InChIKey
BQDCNWKUPVIOQZ-UHFFFAOYSA-N- Molecular formula
- C14H16N2O4
- Average molar mass
- 276.29 g/mol
- Monoisotopic mass
- 276.111007
Names & identifiers
- Preferred name
- Barbituric acid, 5-(benzyloxymethyl)-5-ethyl-
- IUPAC
- 5-ethyl-5-(phenylmethoxymethyl)-1,3-diazinane-2,4,6-trione
- English name
- 5-(Benzyloxymethyl)-5-ethylbarbituric acid
- Molecular formula
- C14H16N2O4
- Molecular weight
- 276.29
Names & synonyms
BRN 02778575-(Benzyloxymethyl)-5-ethylbarbituric acidBARBITURIC ACID, 5-(BENZYLOXYMETHYL)-5-ETHYL-66942-03-8DTXSID102171422-25-00-00064 (Beilstein Handbook Reference)RefChem:320702DTXCID101396335-[(benzyloxy)methyl]-5-ethyl-1,3-diazinane-2,4,6-trione5-(Benzyloxymethyl)-5-ethyl-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-[(phenylmethoxy)methyl]-
Database identifiers
- CAS
66942-03-8- PubChem CID
- 48586
- DTXSID
DTXSID10217142- Nikkaji
- J93.484D
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 382
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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