Barbituric acid, 1,5-diethyl-5-(3-methyl-2-butenyl)-

HCID 48441

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Basic information

CAS: 66940-93-0
Standard SMILES: CCN1C(=O)NC(=O)C(CC)(CC=C(C)C)C1=O
InChIKey: XZFGXYCAVZHESD-UHFFFAOYSA-N
Molecular formula: C13H20N2O3
Average molar mass: 252.31 g/mol
Monoisotopic mass: 252.1473925

Names & identifiers

Preferred name: Barbituric acid, 1,5-diethyl-5-(3-methyl-2-butenyl)-
IUPAC: 1,5-diethyl-5-(3-methylbut-2-enyl)-1,3-diazinane-2,4,6-trione
English name: 1,5-Diethyl-5-(3-methyl-2-butenyl)barbituric acid
Molecular formula: C13H20N2O3
Molecular weight: 252.31

Names & synonyms

66940-93-0BARBITURIC ACID, 1,5-DIETHYL-5-(3-METHYL-2-BUTENYL)-RefChem:1077481BRN 02342941,5-Diethyl-5-(3-methyl-2-butenyl)barbituric acidAcide 5-(gamma,gamma-dimethylallyl) 5-ethyl N-ethylbarbiturique [French]DTXSID70985638Acide 5-(gamma,gamma-dimethylallyl) 5-ethyl N-ethylbarbiturique3,5-Diethyl-6-hydroxy-5-(3-methylbut-2-en-1-yl)pyrimidine-2,4(3H,5H)-dione1,5-Diethyl-5-(3-methyl-2-butenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,5-diethyl-5-(3-methyl-2-buten-1-yl)-

Database identifiers

CAS: 66940-93-0
PubChem CID: 48441
DTXSID: DTXSID70985638
Nikkaji: J105.465A

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 66.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 18
Formal charge: 0
Complexity: 410

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