TL;DR: Barbituric acid, 5-ethyl-5-(4-methylpiperidino)- (CAS 101590-16-3) is a chemical compound with molecular formula C12H19N3O3 and molecular weight 253.14264 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-ethyl-5-(4-methylpiperidin-1-yl)-1,3-diazinane-2,4,6-trione
Also Known As: 5-Ethyl-5-(4-methylpiperidino)barbituric acid, BARBITURIC ACID, 5-ETHYL-5-(4-METHYLPIPERIDINO)-, 5-ethyl-5-(4-methylpiperidin-1-yl)-1,3-diazinane-2,4,6-trione, 4-25-00-04241 (Beilstein Handbook Reference), Acide 5-ethyle 5'-(4-methylpiperidino) barbiturique
| Molecular Formula | C12H19N3O3 |
| Molecular Weight | 253.14264 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 78.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.14264 Da |
| Heavy Atoms | 18 |
| Complexity | 366.0 |
| SMILES | CCC1(C(=O)NC(=O)NC1=O)N2CCC(CC2)C |
| InChIKey | CMMVSWXCSGSQDS-UHFFFAOYSA-N |
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Barbituric acid, 5-ethyl-5-(4-methylpiperidino)-. The TPSA of 78.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Barbituric acid, 5-ethyl-5-(4-methylpiperidino)-. Following Lipinski's Rule of Five, Barbituric acid, 5-ethyl-5-(4-methylpiperidino)- has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Barbituric acid, 5-ethyl-5-(4-methylpiperidino)- is 101590-16-3.
The molecular formula of Barbituric acid, 5-ethyl-5-(4-methylpiperidino)- is C12H19N3O3.
The molecular weight of Barbituric acid, 5-ethyl-5-(4-methylpiperidino)- is 253.14264 g/mol.
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