Ethyl 2-methylsulfanyl-4-(prop-2-enylamino)pyrimidine-5-carboxylate
TL;DR: Ethyl 2-methylsulfanyl-4-(prop-2-enylamino)pyrimidine-5-carboxylate (CAS 76360-95-7) is a chemical compound with molecular formula C11H15N3O2S and molecular weight 253.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-methylsulfanyl-4-(prop-2-enylamino)pyrimidine-5-carboxylate
Also Known As: Ethyl 4-(allylamino)-2-(methylthio)pyrimidine-5-carboxylate, ethyl 2-methylsulfanyl-4-(prop-2-enylamino)pyrimidine-5-carboxylate, ethyl 4-(allylamino)-2-(methylsulfanyl)-5-pyrimidinecarboxylate, Ethyl4-(allylamino)-2-(methylthio)pyrimidine-5-carboxylate, Ethyl 2-(methylsulfanyl)-4-[(prop-2-en-1-yl)amino]pyrimidine-5-carboxylate
| Molecular Formula | C11H15N3O2S |
|---|---|
| Molecular Weight | 253.09 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 89.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 253.0885 |
| Heavy Atoms | 17 |
| Complexity | 263.0 |
Chemical Identifiers
| CAS Number | 76360-95-7 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(N=C1NCC=C)SC |
| InChIKey | ZRNOFRPDIVVAMC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-methylsulfanyl-4-(prop-2-enylamino)pyrimidine-5-carboxylate (CAS 76360-95-7), with molecular formula C11H15N3O2S and molecular weight 253.09 g/mol. IUPAC: ethyl 2-methylsulfanyl-4-(prop-2-enylamino)pyrimidine-5-carboxylate.
Chemical Property Profile of Ethyl 2-methylsulfanyl-4-(prop-2-enylamino)pyrimidine-5-carboxylate
Property Insights of Ethyl 2-methylsulfanyl-4-(prop-2-enylamino)pyrimidine-5-carboxylate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-methylsulfanyl-4-(prop-2-enylamino)pyrimidine-5-carboxylate. The TPSA of 89.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-methylsulfanyl-4-(prop-2-enylamino)pyrimidine-5-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-methylsulfanyl-4-(prop-2-enylamino)pyrimidine-5-carboxylate 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 2-methylsulfanyl-4-(prop-2-enylamino)pyrimidine-5-carboxylate?
The CAS number of Ethyl 2-methylsulfanyl-4-(prop-2-enylamino)pyrimidine-5-carboxylate is 76360-95-7.
What is the molecular formula of Ethyl 2-methylsulfanyl-4-(prop-2-enylamino)pyrimidine-5-carboxylate?
The molecular formula of Ethyl 2-methylsulfanyl-4-(prop-2-enylamino)pyrimidine-5-carboxylate is C11H15N3O2S.
What is the molecular weight of Ethyl 2-methylsulfanyl-4-(prop-2-enylamino)pyrimidine-5-carboxylate?
The molecular weight of Ethyl 2-methylsulfanyl-4-(prop-2-enylamino)pyrimidine-5-carboxylate is 253.09 g/mol.
Where can I buy Ethyl 2-methylsulfanyl-4-(prop-2-enylamino)pyrimidine-5-carboxylate?
You can request a quote for Ethyl 2-methylsulfanyl-4-(prop-2-enylamino)pyrimidine-5-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-methylsulfanyl-4-(prop-2-enylamino)pyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-methylsulfanyl-4-(prop-2-enylamino)pyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.