ethyl N-(4-amino-6-fluoropyrimidin-5-yl)methanimidate
TL;DR: ethyl N-(4-amino-6-fluoropyrimidin-5-yl)methanimidate (CAS 91066-08-9) is a chemical compound with molecular formula C7H9FN4O and molecular weight 184.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(4-amino-6-fluoropyrimidin-5-yl)methanimidate
Also Known As: ethyl(4-amino-6-fluoropyrimidin-5-yl)imidoformate, ethyl N-(4-amino-6-fluoropyrimidin-5-yl)methanimidate, (E)-ethyl N-(4-amino-6-fluoropyrimidin-5-yl)formimidate
| Molecular Formula | C7H9FN4O |
|---|---|
| Molecular Weight | 184.08 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 73.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 184.07603 |
| Heavy Atoms | 13 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 91066-08-9 |
|---|---|
| SMILES | CCOC=NC1=C(N=CN=C1F)N |
| InChIKey | VXCHQRJAXPKDJD-UHFFFAOYSA-N |
Product Overview
ethyl N-(4-amino-6-fluoropyrimidin-5-yl)methanimidate (CAS 91066-08-9), with molecular formula C7H9FN4O and molecular weight 184.08 g/mol. IUPAC: ethyl N-(4-amino-6-fluoropyrimidin-5-yl)methanimidate.
Chemical Property Profile of ethyl N-(4-amino-6-fluoropyrimidin-5-yl)methanimidate
Property Insights of ethyl N-(4-amino-6-fluoropyrimidin-5-yl)methanimidate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl N-(4-amino-6-fluoropyrimidin-5-yl)methanimidate. The TPSA of 73.4 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl N-(4-amino-6-fluoropyrimidin-5-yl)methanimidate. Following Lipinski's Rule of Five, ethyl N-(4-amino-6-fluoropyrimidin-5-yl)methanimidate has 1 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 N-(4-amino-6-fluoropyrimidin-5-yl)methanimidate?
The CAS number of ethyl N-(4-amino-6-fluoropyrimidin-5-yl)methanimidate is 91066-08-9.
What is the molecular formula of ethyl N-(4-amino-6-fluoropyrimidin-5-yl)methanimidate?
The molecular formula of ethyl N-(4-amino-6-fluoropyrimidin-5-yl)methanimidate is C7H9FN4O.
What is the molecular weight of ethyl N-(4-amino-6-fluoropyrimidin-5-yl)methanimidate?
The molecular weight of ethyl N-(4-amino-6-fluoropyrimidin-5-yl)methanimidate is 184.08 g/mol.
Where can I buy ethyl N-(4-amino-6-fluoropyrimidin-5-yl)methanimidate?
You can request a quote for ethyl N-(4-amino-6-fluoropyrimidin-5-yl)methanimidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl N-(4-amino-6-fluoropyrimidin-5-yl)methanimidate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-(4-amino-6-fluoropyrimidin-5-yl)methanimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.