Ethyl 4-(cyclopentylamino)-2-(methylsulfanyl)pyrimidine-5-carboxylate
TL;DR: Ethyl 4-(cyclopentylamino)-2-(methylsulfanyl)pyrimidine-5-carboxylate (CAS 211245-62-4) is a chemical compound with molecular formula C13H19N3O2S and molecular weight 281.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(cyclopentylamino)-2-methylsulfanylpyrimidine-5-carboxylate
Also Known As: ethyl 4-(cyclopentylamino)-2-(methylthio)pyrimidine-5-carboxylate, ethyl 4-(cyclopentylamino)-2-methylsulfanylpyrimidine-5-carboxylate, 4-(cyclopentylamino)-2-(methylthio)-5-Pyrimidinecarboxylic acid ethyl ester, 5-Pyrimidinecarboxylic acid, 4-(cyclopentylamino)-2-(methylthio)-, ethyl ester, ETHYL 4-(CYCLOPENTYLAMINO)-2-(METHYLSULFANYL)PYRIMIDINE-5-CARBOXYLATE
| Molecular Formula | C13H19N3O2S |
|---|---|
| Molecular Weight | 281.12 g/mol |
| LogP | 2.7297 |
| Topological Polar Surface Area | 64.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 281.1198 |
| Heavy Atoms | 19 |
| Complexity | 447.51453 |
Chemical Identifiers
| CAS Number | 211245-62-4 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(N=C1NC2CCCC2)SC |
Product Overview
Ethyl 4-(cyclopentylamino)-2-(methylsulfanyl)pyrimidine-5-carboxylate (CAS 211245-62-4), with molecular formula C13H19N3O2S and molecular weight 281.12 g/mol. IUPAC: ethyl 4-(cyclopentylamino)-2-methylsulfanylpyrimidine-5-carboxylate.
Chemical Property Profile of Ethyl 4-(cyclopentylamino)-2-(methylsulfanyl)pyrimidine-5-carboxylate
Property Insights of Ethyl 4-(cyclopentylamino)-2-(methylsulfanyl)pyrimidine-5-carboxylate
The XLogP value of 2.7297 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(cyclopentylamino)-2-(methylsulfanyl)pyrimidine-5-carboxylate. The TPSA of 64.11 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(cyclopentylamino)-2-(methylsulfanyl)pyrimidine-5-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-(cyclopentylamino)-2-(methylsulfanyl)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 4-(cyclopentylamino)-2-(methylsulfanyl)pyrimidine-5-carboxylate?
The CAS number of Ethyl 4-(cyclopentylamino)-2-(methylsulfanyl)pyrimidine-5-carboxylate is 211245-62-4.
What is the molecular formula of Ethyl 4-(cyclopentylamino)-2-(methylsulfanyl)pyrimidine-5-carboxylate?
The molecular formula of Ethyl 4-(cyclopentylamino)-2-(methylsulfanyl)pyrimidine-5-carboxylate is C13H19N3O2S.
What is the molecular weight of Ethyl 4-(cyclopentylamino)-2-(methylsulfanyl)pyrimidine-5-carboxylate?
The molecular weight of Ethyl 4-(cyclopentylamino)-2-(methylsulfanyl)pyrimidine-5-carboxylate is 281.12 g/mol.
Where can I buy Ethyl 4-(cyclopentylamino)-2-(methylsulfanyl)pyrimidine-5-carboxylate?
You can request a quote for Ethyl 4-(cyclopentylamino)-2-(methylsulfanyl)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 4-(cyclopentylamino)-2-(methylsulfanyl)pyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(cyclopentylamino)-2-(methylsulfanyl)pyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.