5,5-Diethyl-6-hydroxy-3-(2-methylbutyl)pyrimidine-2,4(3H,5H)-dione

HCID 48443

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Basic information

CAS: 66940-95-2
Standard SMILES: CCC(C)CN1C(=O)NC(=O)C(CC)(CC)C1=O
InChIKey: ACWSKGSGJTVNHL-UHFFFAOYSA-N
Molecular formula: C13H22N2O3
Average molar mass: 254.33 g/mol
Monoisotopic mass: 254.16304257

Names & identifiers

Preferred name: 5,5-Diethyl-6-hydroxy-3-(2-methylbutyl)pyrimidine-2,4(3H,5H)-dione
IUPAC: 5,5-diethyl-1-(2-methylbutyl)-1,3-diazinane-2,4,6-trione

Names & synonyms

DTXSID409856405,5-Diethyl-6-hydroxy-3-(2-methylbutyl)pyrimidine-2,4(3H,5H)-dioneRefChem:1072131DTXCID501412831d,l-5,5-Diethyl-1-(2-methylbutyl)barbituric acid66940-95-2BRN 0234371BARBITURIC ACID, 5,5-DIETHYL-1-(2-METHYLBUTYL)-, d,l-

Database identifiers

CAS: 66940-95-2
PubChem CID: 48443
DTXSID: DTXSID40985640

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 66.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 18
Formal charge: 0
Complexity: 361

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