Barbituric acid, 5-methyl-5-((6-methyl-2-pyridyl)methyl)-
TL;DR: Barbituric acid, 5-methyl-5-((6-methyl-2-pyridyl)methyl)- (CAS 100115-13-7) is a chemical compound with molecular formula C12H13N3O3 and molecular weight 247.09569 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-methyl-5-[(6-methyl-2-pyridinyl)methyl]-1,3-diazinane-2,4,6-trione
Also Known As: 5-Lutidyl-5-methylbarbituric acid, 5-26-06-00340 (Beilstein Handbook Reference), 5-Methyl-5-((6-methyl-2-pyridyl)methyl)barbituric acid, BARBITURIC ACID, 5-METHYL-5-((6-METHYL-2-PYRIDYL)METHYL)-, 5-methyl-5-[(6-methylpyridin-2-yl)methyl]-1,3-diazinane-2,4,6-trione
Technical Specifications
| Molecular Formula | C12H13N3O3 |
| Molecular Weight | 247.09569 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 88.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.09569 Da |
| Heavy Atoms | 18 |
| Complexity | 374.0 |
| SMILES | CC1=NC(=CC=C1)CC2(C(=O)NC(=O)NC2=O)C |
| InChIKey | KJHBWVPWCAYJQU-UHFFFAOYSA-N |
Chemical Property Profile of Barbituric acid, 5-methyl-5-((6-methyl-2-pyridyl)methyl)-
Property Insights of Barbituric acid, 5-methyl-5-((6-methyl-2-pyridyl)methyl)-
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Barbituric acid, 5-methyl-5-((6-methyl-2-pyridyl)methyl)-. The TPSA of 88.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Barbituric acid, 5-methyl-5-((6-methyl-2-pyridyl)methyl)-. Following Lipinski's Rule of Five, Barbituric acid, 5-methyl-5-((6-methyl-2-pyridyl)methyl)- has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Barbituric acid, 5-methyl-5-((6-methyl-2-pyridyl)methyl)-?
The CAS number of Barbituric acid, 5-methyl-5-((6-methyl-2-pyridyl)methyl)- is 100115-13-7.
What is the molecular formula of Barbituric acid, 5-methyl-5-((6-methyl-2-pyridyl)methyl)-?
The molecular formula of Barbituric acid, 5-methyl-5-((6-methyl-2-pyridyl)methyl)- is C12H13N3O3.
What is the molecular weight of Barbituric acid, 5-methyl-5-((6-methyl-2-pyridyl)methyl)-?
The molecular weight of Barbituric acid, 5-methyl-5-((6-methyl-2-pyridyl)methyl)- is 247.09569 g/mol.
Where can I buy Barbituric acid, 5-methyl-5-((6-methyl-2-pyridyl)methyl)-?
You can request a quote for Barbituric acid, 5-methyl-5-((6-methyl-2-pyridyl)methyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Barbituric acid, 5-methyl-5-((6-methyl-2-pyridyl)methyl)-?
Yes, CoreyChem provides custom synthesis services for Barbituric acid, 5-methyl-5-((6-methyl-2-pyridyl)methyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.