Pyrimethamine
TL;DR: Pyrimethamine (CAS 58-14-0) is a chemical compound with molecular formula C12H13ClN4 and molecular weight 248.08287 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine
Also Known As: pyrimethamine, Daraprim, Chloridine, Chloridin, Diaminopyritamin
Application Areas
Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H13ClN4 |
| Molecular Weight | 248.08287 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 77.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.08287 Da |
| Heavy Atoms | 17 |
| Complexity | 243.0 |
| Melting Point | 451 to 453 °F (capillary) (NTP, 1992) |
| Solubility | less than 0.1 mg/mL at 70 °F (NTP, 1992) |
| SMILES | CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl |
| InChIKey | WKSAUQYGYAYLPV-UHFFFAOYSA-N |
Product Description
Applications: Pyrimethamine is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Pyrimethamine (CAS 58-14-0) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Pyrimethamine (CAS 58-14-0) is a pharmaceutical intermediate with the molecular formula C12H13ClN4 and a molecular weight of 248.08 g/mol. Key physical properties include a solubility: less than 0.1 mg/mL at 70 °F (NTP, 1992). It is also known as pyrimethamine and Daraprim.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Pyrimethamine
Property Insights of Pyrimethamine
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrimethamine. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrimethamine. Following Lipinski's Rule of Five, Pyrimethamine 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 Pyrimethamine?
The CAS number of Pyrimethamine is 58-14-0.
What is the molecular formula of Pyrimethamine?
The molecular formula of Pyrimethamine is C12H13ClN4.
What is the molecular weight of Pyrimethamine?
The molecular weight of Pyrimethamine is 248.08287 g/mol.
What are the applications of Pyrimethamine?
Pyrimethamine is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Pyrimethamine (CAS 58-14-0) with custom...
Where can I buy Pyrimethamine?
You can request a quote for Pyrimethamine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pyrimethamine?
Yes, CoreyChem provides custom synthesis services for Pyrimethamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.