5-Ethyl-1-(4-hydroxycyclohexyl)-1,3-diazinane-2,4,6-trione

HCID 210587

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Basic information

CAS: 21330-83-6
Standard SMILES: CCC1C(=O)NC(=O)N(C2CCC(O)CC2)C1=O
InChIKey: LBMRMURJSIRKLH-UHFFFAOYSA-N
Molecular formula: C12H18N2O4
Average molar mass: 254.28 g/mol
Monoisotopic mass: 254.12665706

Names & identifiers

Preferred name: 5-Ethyl-1-(4-hydroxycyclohexyl)-1,3-diazinane-2,4,6-trione
IUPAC: 5-ethyl-1-(4-hydroxycyclohexyl)-1,3-diazinane-2,4,6-trione
English name: 5-Ethyl-1-(4-hydroxycyclohexyl)barbituric acid
Molecular formula: C12H18N2O4
Molecular weight: 254.28

Names & synonyms

5-ethyl-1-(4-hydroxycyclohexyl)-1,3-diazinane-2,4,6-trioneRefChem:1072850DTXCID00814760DTXSID708664785-Ethyl-1-(4-hydroxycyclohexyl)barbituric acid21330-83-65-ethyl-1-(4-hydroxycyclohexyl)pyrimidine-2,4,6(1h,3h,5h)-trioneBRN 1004561Barbituric acid, 5-ethyl-1-(4-hydroxycyclohexyl)-AKOS0302402412,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-1-(4-hydroxycyclohexyl)-

Database identifiers

CAS: 21330-83-6
PubChem CID: 210587
Nikkaji: J62.452G

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 86.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 18
Formal charge: 0
Complexity: 374

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