ethyl (E)-2-cyano-3-(pyrimidin-2-ylamino)prop-2-enoate
TL;DR: ethyl (E)-2-cyano-3-(pyrimidin-2-ylamino)prop-2-enoate (CAS 1026025-48-8) is a chemical compound with molecular formula C10H10N4O2 and molecular weight 218.08037 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl (E)-2-cyano-3-(pyrimidin-2-ylamino)prop-2-enoate
Also Known As: ethyl (E)-2-cyano-3-(pyrimidin-2-ylamino)prop-2-enoate, ethyl 2-cyano-3-[(pyrimidin-2-yl)amino]prop-2-enoate, ethyl 2-nitrilo-3-(pyrimidin-2-ylamino)prop-2-enoate
Technical Specifications
| Molecular Formula | C10H10N4O2 |
| Molecular Weight | 218.08037 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 87.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 218.08037 Da |
| Heavy Atoms | 16 |
| Complexity | 312.0 |
| SMILES | CCOC(=O)/C(=C/NC1=NC=CC=N1)/C#N |
| InChIKey | AUAQMBYNADBTSX-BQYQJAHWSA-N |
Chemical Property Profile of ethyl (E)-2-cyano-3-(pyrimidin-2-ylamino)prop-2-enoate
Property Insights of ethyl (E)-2-cyano-3-(pyrimidin-2-ylamino)prop-2-enoate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (E)-2-cyano-3-(pyrimidin-2-ylamino)prop-2-enoate. The TPSA of 87.9 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (E)-2-cyano-3-(pyrimidin-2-ylamino)prop-2-enoate. Following Lipinski's Rule of Five, ethyl (E)-2-cyano-3-(pyrimidin-2-ylamino)prop-2-enoate 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
What is the CAS number of ethyl (E)-2-cyano-3-(pyrimidin-2-ylamino)prop-2-enoate?
The CAS number of ethyl (E)-2-cyano-3-(pyrimidin-2-ylamino)prop-2-enoate is 1026025-48-8.
What is the molecular formula of ethyl (E)-2-cyano-3-(pyrimidin-2-ylamino)prop-2-enoate?
The molecular formula of ethyl (E)-2-cyano-3-(pyrimidin-2-ylamino)prop-2-enoate is C10H10N4O2.
What is the molecular weight of ethyl (E)-2-cyano-3-(pyrimidin-2-ylamino)prop-2-enoate?
The molecular weight of ethyl (E)-2-cyano-3-(pyrimidin-2-ylamino)prop-2-enoate is 218.08037 g/mol.
Where can I buy ethyl (E)-2-cyano-3-(pyrimidin-2-ylamino)prop-2-enoate?
You can request a quote for ethyl (E)-2-cyano-3-(pyrimidin-2-ylamino)prop-2-enoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl (E)-2-cyano-3-(pyrimidin-2-ylamino)prop-2-enoate?
Yes, CoreyChem provides custom synthesis services for ethyl (E)-2-cyano-3-(pyrimidin-2-ylamino)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.