5-(1-Ethoxyethyl)-4,6-dihydroxy-5-(pentan-2-yl)pyrimidin-2(5H)-one

HCID 48476

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Basic information

CAS: 66941-23-9
Standard SMILES: CCCC(C)C1(C(C)OCC)C(=O)NC(=O)NC1=O
InChIKey: AWVCMYZENKGOMO-UHFFFAOYSA-N
Molecular formula: C13H22N2O4
Average molar mass: 270.32 g/mol
Monoisotopic mass: 270.15795719

Names & identifiers

Preferred name: 5-(1-Ethoxyethyl)-4,6-dihydroxy-5-(pentan-2-yl)pyrimidin-2(5H)-one
IUPAC: 5-(1-ethoxyethyl)-5-pentan-2-yl-1,3-diazinane-2,4,6-trione
English name: 5-(1-Ethoxyethyl)-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
Molecular formula: C13H22N2O4
Molecular weight: 270.32

Names & synonyms

66941-23-9DTXSID909856555-(1-Ethoxyethyl)-4,6-dihydroxy-5-(pentan-2-yl)pyrimidin-2(5H)-oneRefChem:1072336DTXCID601412846BRN 02632045-(1-Ethoxyethyl)-5-(1-methylbutyl)barbituric acid5-Methyl-n-propylcarbinyl-5-ethoxyethylbarbituric acidBARBITURIC ACID, 5-(1-ETHOXYETHYL)-5-(1-METHYLBUTYL)-4-25-00-00449 (Beilstein Handbook Reference)5-(1-Ethoxyethyl)-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-ethoxyethyl)-5-(1-methylbutyl)-

Database identifiers

CAS: 66941-23-9
PubChem CID: 48476
DTXSID: DTXSID90985655
Nikkaji: J105.507K

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 84.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 19
Formal charge: 0
Complexity: 361

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