TL;DR: Barbituric acid, 5-butyl-5-vinyl- (CAS 67050-81-1) is a chemical compound with molecular formula C10H14N2O3 and molecular weight 210.10045 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-butyl-5-ethenyl-1,3-diazinane-2,4,6-trione
Also Known As: 5-Butyl-5-vinylbarbituric acid, BARBITURIC ACID, 5-BUTYL-5-VINYL-, 5-butyl-5-ethenyl-1,3-diazinane-2,4,6-trione, 5-24-09-00223 (Beilstein Handbook Reference), 5-Butyl-5-vinyl-2,4,6 -pyrimidinetrione
| Molecular Formula | C10H14N2O3 |
| Molecular Weight | 210.10045 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 75.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 210.10045 Da |
| Heavy Atoms | 15 |
| Complexity | 303.0 |
| SMILES | CCCCC1(C(=O)NC(=O)NC1=O)C=C |
| InChIKey | ZCIJMYRBMAWERK-UHFFFAOYSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Barbituric acid, 5-butyl-5-vinyl-. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Barbituric acid, 5-butyl-5-vinyl-. Following Lipinski's Rule of Five, Barbituric acid, 5-butyl-5-vinyl- has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Barbituric acid, 5-butyl-5-vinyl- is 67050-81-1.
The molecular formula of Barbituric acid, 5-butyl-5-vinyl- is C10H14N2O3.
The molecular weight of Barbituric acid, 5-butyl-5-vinyl- is 210.10045 g/mol.
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