4,6-Diaminopyrimidine-2-sulfonic acid
TL;DR: 4,6-Diaminopyrimidine-2-sulfonic acid (CAS 162880-43-5) is a chemical compound with molecular formula C4H6N4O3S and molecular weight 190.01607 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,6-diaminopyrimidine-2-sulfonic acid
Also Known As: Methotrexate Impurity 94, 4,6-diaminopyrimidine-2-sulfonic acid
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H6N4O3S |
| Molecular Weight | 190.01607 g/mol |
| XLogP | -1.4 |
| Topological Polar Surface Area (TPSA) | 141.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 190.01607 Da |
| Heavy Atoms | 12 |
| Complexity | 238.0 |
| SMILES | C1=C(N=C(N=C1N)S(=O)(=O)O)N |
| InChIKey | GXPYJKQHOTYYGY-UHFFFAOYSA-N |
Chemical Property Profile of 4,6-Diaminopyrimidine-2-sulfonic acid
Property Insights of 4,6-Diaminopyrimidine-2-sulfonic acid
The XLogP value of -1.4 indicates that 4,6-Diaminopyrimidine-2-sulfonic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 141.0 Ų indicates high polarity, suggesting 4,6-Diaminopyrimidine-2-sulfonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4,6-Diaminopyrimidine-2-sulfonic acid has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4,6-Diaminopyrimidine-2-sulfonic acid?
The CAS number of 4,6-Diaminopyrimidine-2-sulfonic acid is 162880-43-5.
What is the molecular formula of 4,6-Diaminopyrimidine-2-sulfonic acid?
The molecular formula of 4,6-Diaminopyrimidine-2-sulfonic acid is C4H6N4O3S.
What is the molecular weight of 4,6-Diaminopyrimidine-2-sulfonic acid?
The molecular weight of 4,6-Diaminopyrimidine-2-sulfonic acid is 190.01607 g/mol.
Where can I buy 4,6-Diaminopyrimidine-2-sulfonic acid?
You can request a quote for 4,6-Diaminopyrimidine-2-sulfonic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4,6-Diaminopyrimidine-2-sulfonic acid?
Yes, CoreyChem provides custom synthesis services for 4,6-Diaminopyrimidine-2-sulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.