Ethyl 2-((6-amino-5-nitropyrimidin-4-yl)amino)acetate
TL;DR: Ethyl 2-((6-amino-5-nitropyrimidin-4-yl)amino)acetate (CAS 22386-74-9) is a chemical compound with molecular formula C8H11N5O4 and molecular weight 241.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(6-amino-5-nitropyrimidin-4-yl)amino]acetate
Also Known As: ethyl 2-((6-amino-5-nitropyrimidin-4-yl)amino)acetate, AB00356435-02, (6-Amino-5-nitro-pyrimidin-4-ylamino)-acetic acid ethyl ester, ethyl 2-[(6-amino-5-nitropyrimidin-4-yl)amino]acetate, ethyl N-(6-amino-5-nitropyrimidin-4-yl)glycinate
| Molecular Formula | C8H11N5O4 |
|---|---|
| Molecular Weight | 241.08 g/mol |
| LogP | -0.058 |
| Topological Polar Surface Area | 133.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 241.0811 |
| Heavy Atoms | 17 |
| Complexity | 435.92377 |
Chemical Identifiers
| CAS Number | 22386-74-9 |
|---|---|
| SMILES | CCOC(=O)CNC1=NC=NC(=C1[N+](=O)[O-])N |
Product Overview
Ethyl 2-((6-amino-5-nitropyrimidin-4-yl)amino)acetate (CAS 22386-74-9), with molecular formula C8H11N5O4 and molecular weight 241.08 g/mol. IUPAC: ethyl 2-[(6-amino-5-nitropyrimidin-4-yl)amino]acetate.
Chemical Property Profile of Ethyl 2-((6-amino-5-nitropyrimidin-4-yl)amino)acetate
Property Insights of Ethyl 2-((6-amino-5-nitropyrimidin-4-yl)amino)acetate
The XLogP value of -0.058 indicates that Ethyl 2-((6-amino-5-nitropyrimidin-4-yl)amino)acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 133.27 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-((6-amino-5-nitropyrimidin-4-yl)amino)acetate. Following Lipinski's Rule of Five, Ethyl 2-((6-amino-5-nitropyrimidin-4-yl)amino)acetate has 2 hydrogen bond donor(s) and 8 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-amino-5-nitropyrimidin-4-yl)amino)acetate?
The CAS number of Ethyl 2-((6-amino-5-nitropyrimidin-4-yl)amino)acetate is 22386-74-9.
What is the molecular formula of Ethyl 2-((6-amino-5-nitropyrimidin-4-yl)amino)acetate?
The molecular formula of Ethyl 2-((6-amino-5-nitropyrimidin-4-yl)amino)acetate is C8H11N5O4.
What is the molecular weight of Ethyl 2-((6-amino-5-nitropyrimidin-4-yl)amino)acetate?
The molecular weight of Ethyl 2-((6-amino-5-nitropyrimidin-4-yl)amino)acetate is 241.08 g/mol.
Where can I buy Ethyl 2-((6-amino-5-nitropyrimidin-4-yl)amino)acetate?
You can request a quote for Ethyl 2-((6-amino-5-nitropyrimidin-4-yl)amino)acetate 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-amino-5-nitropyrimidin-4-yl)amino)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-((6-amino-5-nitropyrimidin-4-yl)amino)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.