Ethyl 2,6-diamino-5-phenoxypyrimidine-4-carboxylate
TL;DR: Ethyl 2,6-diamino-5-phenoxypyrimidine-4-carboxylate (CAS 500698-36-2) is a chemical compound with molecular formula C13H14N4O3 and molecular weight 274.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,6-diamino-5-phenoxypyrimidine-4-carboxylate
Also Known As: ethyl 2,6-diamino-5-phenoxypyrimidine-4-carboxylate
| Molecular Formula | C13H14N4O3 |
|---|---|
| Molecular Weight | 274.11 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 274.1066 |
| Heavy Atoms | 20 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 500698-36-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=NC(=N1)N)N)OC2=CC=CC=C2 |
| InChIKey | JXUVBJUAPRQUCE-UHFFFAOYSA-N |
Product Overview
Ethyl 2,6-diamino-5-phenoxypyrimidine-4-carboxylate (CAS 500698-36-2), with molecular formula C13H14N4O3 and molecular weight 274.11 g/mol. IUPAC: ethyl 2,6-diamino-5-phenoxypyrimidine-4-carboxylate.
Chemical Property Profile of Ethyl 2,6-diamino-5-phenoxypyrimidine-4-carboxylate
Property Insights of Ethyl 2,6-diamino-5-phenoxypyrimidine-4-carboxylate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2,6-diamino-5-phenoxypyrimidine-4-carboxylate. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2,6-diamino-5-phenoxypyrimidine-4-carboxylate. Following Lipinski's Rule of Five, Ethyl 2,6-diamino-5-phenoxypyrimidine-4-carboxylate has 2 hydrogen bond donor(s) and 7 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-phenoxypyrimidine-4-carboxylate?
The CAS number of Ethyl 2,6-diamino-5-phenoxypyrimidine-4-carboxylate is 500698-36-2.
What is the molecular formula of Ethyl 2,6-diamino-5-phenoxypyrimidine-4-carboxylate?
The molecular formula of Ethyl 2,6-diamino-5-phenoxypyrimidine-4-carboxylate is C13H14N4O3.
What is the molecular weight of Ethyl 2,6-diamino-5-phenoxypyrimidine-4-carboxylate?
The molecular weight of Ethyl 2,6-diamino-5-phenoxypyrimidine-4-carboxylate is 274.11 g/mol.
Where can I buy Ethyl 2,6-diamino-5-phenoxypyrimidine-4-carboxylate?
You can request a quote for Ethyl 2,6-diamino-5-phenoxypyrimidine-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-phenoxypyrimidine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2,6-diamino-5-phenoxypyrimidine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.