Barbituric acid, 5-(4-(dimethylamino)-2-butynyl)-5-ethyl-

Substructure search Find similar structures

Basic information

CAS: 1146-09-4
Standard SMILES: CCC1(CC#CCN(C)C)C(=O)NC(=O)NC1=O
InChIKey: RAAWOJMVIFFBTA-UHFFFAOYSA-N
Molecular formula: C12H17N3O3
Average molar mass: 251.28 g/mol
Monoisotopic mass: 251.12699141

Names & identifiers

Preferred name: Barbituric acid, 5-(4-(dimethylamino)-2-butynyl)-5-ethyl-
IUPAC: 5-[4-(dimethylamino)but-2-ynyl]-5-ethyl-1,3-diazinane-2,4,6-trione

Names & synonyms

BRN 0922038BARBITURIC ACID, 5-(4-(DIMETHYLAMINO)-2-BUTYNYL)-5-ETHYL-1146-09-45-Ethyl-5-(4-dimethylamino-2-butynyl)barbituric acid5-(4-(Dimethylamino)-2-butynyl)-5-ethylbarbituric acidDTXSID401507905-25-16-00119 (Beilstein Handbook Reference)2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(4-(dimethylamino)-2-butynyl)-5-ethyl-RefChem:320698DTXCID60732815-[4-(DIMETHYLAMINO)BUT-2-YN-1-YL]-5-ETHYL-1,3-DIAZINANE-2,4,6-TRIONE

Database identifiers

CAS: 1146-09-4
PubChem CID: 14368
DTXSID: DTXSID40150790

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 78.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 18
Formal charge: 0
Complexity: 422

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…