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

HCID 48431

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Basic information

CAS: 66940-83-8
Standard SMILES: CCC1(CC)C(=O)NC(=O)N(C(C)C(C)C)C1=O
InChIKey: IJLCAGWNTNUBGN-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-(3-methylbutan-2-yl)pyrimidine-2,4(3H,5H)-dione
IUPAC: 5,5-diethyl-1-(3-methylbutan-2-yl)-1,3-diazinane-2,4,6-trione

Names & synonyms

66940-83-8DTXSID909856355,5-Diethyl-6-hydroxy-3-(3-methylbutan-2-yl)pyrimidine-2,4(3H,5H)-dioneRefChem:1072132DTXCID401412826d,l-5,5-Diethyl-1-(1,2-dimethylpropyl)barbituric acidBRN 0235040BARBITURIC ACID, 5,5-DIETHYL-1-(1,2-DIMETHYLPROPYL)-, d,l-

Database identifiers

CAS: 66940-83-8
PubChem CID: 48431
DTXSID: DTXSID90985635

Properties

Computed structural properties

XLogP: 3.3
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: 372

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