Barbituric acid, 5-ethyl-5-(propoxymethyl)-

HCID 49264

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Basic information

CAS: 67050-96-8
Standard SMILES: CCCOCC1(CC)C(=O)NC(=O)NC1=O
InChIKey: KHOJYDGIAOWDKO-UHFFFAOYSA-N
Molecular formula: C10H16N2O4
Average molar mass: 228.24 g/mol
Monoisotopic mass: 228.111007

Names & identifiers

Preferred name: Barbituric acid, 5-ethyl-5-(propoxymethyl)-
IUPAC: 5-ethyl-5-(propoxymethyl)-1,3-diazinane-2,4,6-trione
English name: 5-Ethyl-5-(propoxymethyl)barbituric acid
Molecular formula: C10H16N2O4
Molecular weight: 228.24

Names & synonyms

67050-96-8BARBITURIC ACID, 5-ETHYL-5-(PROPOXYMETHYL)-RefChem:10776865-Ethyl-5-(propoxymethyl)barbituric acidBRN 0226563DTXSID509860675-Ethyl-4,6-dihydroxy-5-(propoxymethyl)pyrimidin-2(5H)-one5-Ethyl-5-(propoxymethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(propoxymethyl)-

Database identifiers

CAS: 67050-96-8
PubChem CID: 49264
DTXSID: DTXSID50986067
Nikkaji: J105.635B

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 84.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 16
Formal charge: 0
Complexity: 294

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