Barbituric acid, 5-ethyl-5-isobutyl-1-phenyl-
Basic information
- CAS
66968-50-1- Standard SMILES
CCC1(CC(C)C)C(=O)NC(=O)N(c2ccccc2)C1=O- InChIKey
DEOFIMJTRLPMTC-UHFFFAOYSA-N- Molecular formula
- C16H20N2O3
- Average molar mass
- 288.34 g/mol
- Monoisotopic mass
- 288.1473925
Names & identifiers
- Preferred name
- Barbituric acid, 5-ethyl-5-isobutyl-1-phenyl-
- IUPAC
- 5-ethyl-5-(2-methylpropyl)-1-phenyl-1,3-diazinane-2,4,6-trione
Names & synonyms
BARBITURIC ACID, 5-ETHYL-5-ISOBUTYL-1-PHENYL-66968-50-1RefChem:10776895-Ethyl-5-isobutyl-1-phenylbarbituric acidBRN 0275008DTXSID509857575-Ethyl-6-hydroxy-5-(2-methylpropyl)-3-phenylpyrimidine-2,4(3H,5H)-dione
Database identifiers
- CAS
66968-50-1- PubChem CID
- 48755
- DTXSID
DTXSID50985757- Nikkaji
- J105.548H
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 441
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