Barbituric acid, 5-ethyl-5-(4-fluorobutyl)-

HCID 71076

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Basic information

CAS: 309-76-2
Standard SMILES: CCC1(CCCCF)C(=O)NC(=O)NC1=O
InChIKey: SLNRFZZUJDZDPT-UHFFFAOYSA-N
Molecular formula: C10H15FN2O3
Average molar mass: 230.24 g/mol
Monoisotopic mass: 230.10667051

Names & identifiers

Preferred name: Barbituric acid, 5-ethyl-5-(4-fluorobutyl)-
IUPAC: 5-ethyl-5-(4-fluorobutyl)-1,3-diazinane-2,4,6-trione
English name: 5-Ethyl-5-(4-fluorobutyl)barbituric acid
Molecular formula: C10H15FN2O3
Molecular weight: 230.24

Names & synonyms

Barbituric acid, 5-ethyl-5-(4-fluorobutyl)-BRN 02269085-Ethyl-5-(4-fluorobutyl)barbituric acid309-76-2DTXSID901849042,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(4-fluorobutyl)-4-24-00-01943 (Beilstein Handbook Reference)RefChem:320828DTXCID901073955-ethyl-5-(4-fluorobutyl)-1,3-diazinane-2,4,6-trioneSCHEMBL14788950

Database identifiers

CAS: 309-76-2
PubChem CID: 71076
DTXSID: DTXSID90184904
Nikkaji: J54.564C

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 75.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 16
Formal charge: 0
Complexity: 297

Chemistry & industry

Upstream & downstream products

Upstream raw materials

Propanedioic acid, 2-ethyl-2-(4-fluorobutyl)-, 1,3-diethyl ester Diethyl ethylmalonate

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