Ethyl 2,6-diamino-5-(4-chlorophenyl)pyrimidine-4-carboxylate
TL;DR: Ethyl 2,6-diamino-5-(4-chlorophenyl)pyrimidine-4-carboxylate (CAS 2762-38-1) is a chemical compound with molecular formula C13H13ClN4O2 and molecular weight 292.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,6-diamino-5-(4-chlorophenyl)pyrimidine-4-carboxylate
Also Known As: ethyl 2,6-diamino-5-(4-chlorophenyl)pyrimidine-4-carboxylate, 4-Pyrimidinecarboxylicacid, 2,6-diamino-5-(4-chlorophenyl)-, ethyl ester, 4-Pyrimidinecarboxylicacid,2,6-diamino-5-(4-chlorophenyl)-,ethyl ester
| Molecular Formula | C13H13ClN4O2 |
|---|---|
| Molecular Weight | 292.07 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 292.0727 |
| Heavy Atoms | 20 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 2762-38-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl |
| InChIKey | LKIQXZVPDXBEKM-UHFFFAOYSA-N |
Product Overview
Ethyl 2,6-diamino-5-(4-chlorophenyl)pyrimidine-4-carboxylate (CAS 2762-38-1), with molecular formula C13H13ClN4O2 and molecular weight 292.07 g/mol. IUPAC: ethyl 2,6-diamino-5-(4-chlorophenyl)pyrimidine-4-carboxylate.
Chemical Property Profile of Ethyl 2,6-diamino-5-(4-chlorophenyl)pyrimidine-4-carboxylate
Property Insights of Ethyl 2,6-diamino-5-(4-chlorophenyl)pyrimidine-4-carboxylate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2,6-diamino-5-(4-chlorophenyl)pyrimidine-4-carboxylate. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2,6-diamino-5-(4-chlorophenyl)pyrimidine-4-carboxylate. Following Lipinski's Rule of Five, Ethyl 2,6-diamino-5-(4-chlorophenyl)pyrimidine-4-carboxylate has 2 hydrogen bond donor(s) and 6 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 Ethyl 2,6-diamino-5-(4-chlorophenyl)pyrimidine-4-carboxylate?
The CAS number of Ethyl 2,6-diamino-5-(4-chlorophenyl)pyrimidine-4-carboxylate is 2762-38-1.
What is the molecular formula of Ethyl 2,6-diamino-5-(4-chlorophenyl)pyrimidine-4-carboxylate?
The molecular formula of Ethyl 2,6-diamino-5-(4-chlorophenyl)pyrimidine-4-carboxylate is C13H13ClN4O2.
What is the molecular weight of Ethyl 2,6-diamino-5-(4-chlorophenyl)pyrimidine-4-carboxylate?
The molecular weight of Ethyl 2,6-diamino-5-(4-chlorophenyl)pyrimidine-4-carboxylate is 292.07 g/mol.
Where can I buy Ethyl 2,6-diamino-5-(4-chlorophenyl)pyrimidine-4-carboxylate?
You can request a quote for Ethyl 2,6-diamino-5-(4-chlorophenyl)pyrimidine-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2,6-diamino-5-(4-chlorophenyl)pyrimidine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2,6-diamino-5-(4-chlorophenyl)pyrimidine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.