4,6-Dimethyl-1-oxidopyrimidin-1-ium
TL;DR: 4,6-Dimethyl-1-oxidopyrimidin-1-ium (CAS 14161-42-3) is a chemical compound with molecular formula C6H8N2O and molecular weight 124.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dimethyl-1-oxidopyrimidin-1-ium
Also Known As: 4,6-Dimethylpyrimidine 1-oxide, 4,6-dimethyl-1-oxidopyrimidin-1-ium, 4,6-dimethyl-3-oxido-pyrimidine, Pyrimidine, 4,6-dimethyl-, 1-oxide (6CI,7CI,8CI,9CI), S03-0468
| Molecular Formula | C6H8N2O |
|---|---|
| Molecular Weight | 124.06 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 38.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 124.06366 |
| Heavy Atoms | 9 |
| Complexity | 97.0 |
Chemical Identifiers
| CAS Number | 14161-42-3 |
|---|---|
| SMILES | CC1=CC(=[N+](C=N1)[O-])C |
| InChIKey | OYBUMJJZANUIJD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,6-Dimethyl-1-oxidopyrimidin-1-ium (CAS 14161-42-3), with molecular formula C6H8N2O and molecular weight 124.06 g/mol. IUPAC: 4,6-dimethyl-1-oxidopyrimidin-1-ium.
Chemical Property Profile of 4,6-Dimethyl-1-oxidopyrimidin-1-ium
Property Insights of 4,6-Dimethyl-1-oxidopyrimidin-1-ium
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6-Dimethyl-1-oxidopyrimidin-1-ium. With a topological polar surface area (TPSA) of 38.4 Ų, 4,6-Dimethyl-1-oxidopyrimidin-1-ium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,6-Dimethyl-1-oxidopyrimidin-1-ium has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,6-Dimethyl-1-oxidopyrimidin-1-ium?
The CAS number of 4,6-Dimethyl-1-oxidopyrimidin-1-ium is 14161-42-3.
What is the molecular formula of 4,6-Dimethyl-1-oxidopyrimidin-1-ium?
The molecular formula of 4,6-Dimethyl-1-oxidopyrimidin-1-ium is C6H8N2O.
What is the molecular weight of 4,6-Dimethyl-1-oxidopyrimidin-1-ium?
The molecular weight of 4,6-Dimethyl-1-oxidopyrimidin-1-ium is 124.06 g/mol.
Where can I buy 4,6-Dimethyl-1-oxidopyrimidin-1-ium?
You can request a quote for 4,6-Dimethyl-1-oxidopyrimidin-1-ium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-Dimethyl-1-oxidopyrimidin-1-ium?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Dimethyl-1-oxidopyrimidin-1-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.