3,5-Diethyl-6-hydroxy-5-(prop-1-en-2-yl)pyrimidine-2,4(3H,5H)-dione

HCID 48436

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Basic information

CAS: 66940-88-3
Standard SMILES: C=C(C)C1(CC)C(=O)NC(=O)N(CC)C1=O
InChIKey: XCHZWLHGKXJNCL-UHFFFAOYSA-N
Molecular formula: C11H16N2O3
Average molar mass: 224.26 g/mol
Monoisotopic mass: 224.11609238

Names & identifiers

Preferred name: 3,5-Diethyl-6-hydroxy-5-(prop-1-en-2-yl)pyrimidine-2,4(3H,5H)-dione
IUPAC: 1,5-diethyl-5-prop-1-en-2-yl-1,3-diazinane-2,4,6-trione
English name: 1,5-Diethyl-5-isopropenylbarbituric acid
Molecular formula: C11H16N2O3
Molecular weight: 224.26

Names & synonyms

66940-88-3DTXSID109856373,5-Diethyl-6-hydroxy-5-(prop-1-en-2-yl)pyrimidine-2,4(3H,5H)-dioneRefChem:1065907DTXCID8014128281,5-Diethyl-5-isopropenylbarbituric acidBRN 0209365BARBITURIC ACID, 1,5-DIETHYL-5-ISOPROPENYL-1,5-Diethyl-5-isopropenyl-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,5-diethyl-5-(1-methylethenyl)-

Database identifiers

CAS: 66940-88-3
PubChem CID: 48436
DTXSID: DTXSID10985637
Nikkaji: J105.460K

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 66.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 375

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