Ethyl 4-(methylamino)-2-(methylsulfanyl)pyrimidine-5-carboxylate
TL;DR: Ethyl 4-(methylamino)-2-(methylsulfanyl)pyrimidine-5-carboxylate (CAS 76360-82-2) is a chemical compound with molecular formula C9H13N3O2S and molecular weight 227.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(methylamino)-2-methylsulfanylpyrimidine-5-carboxylate
Also Known As: ETHYL 4-(METHYLAMINO)-2-(METHYLSULFANYL)-5-PYRIMIDINECARBOXYLATE, ethyl 4-(methylamino)-2-(methylthio)pyrimidine-5-carboxylate, 4-(Methylamino)-2-(methylthio)pyrimidine-5-carboxylic Acid Ethyl Ester, 4-Methylamino-2-methylsulfanyl-pyrimidine-5-carboxylic acid ethyl ester, ethyl 4-(methylamino)-2-(methylsulfanyl)pyrimidine-5-carboxylate
| Molecular Formula | C9H13N3O2S |
|---|---|
| Molecular Weight | 227.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 89.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 227.07285 |
| Heavy Atoms | 15 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 76360-82-2 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(N=C1NC)SC |
| InChIKey | VDDZMXQAZJMGPK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 4-(methylamino)-2-(methylsulfanyl)pyrimidine-5-carboxylate (CAS 76360-82-2), with molecular formula C9H13N3O2S and molecular weight 227.07 g/mol. IUPAC: ethyl 4-(methylamino)-2-methylsulfanylpyrimidine-5-carboxylate.
Chemical Property Profile of Ethyl 4-(methylamino)-2-(methylsulfanyl)pyrimidine-5-carboxylate
Property Insights of Ethyl 4-(methylamino)-2-(methylsulfanyl)pyrimidine-5-carboxylate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(methylamino)-2-(methylsulfanyl)pyrimidine-5-carboxylate. The TPSA of 89.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(methylamino)-2-(methylsulfanyl)pyrimidine-5-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-(methylamino)-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-(methylamino)-2-(methylsulfanyl)pyrimidine-5-carboxylate?
The CAS number of Ethyl 4-(methylamino)-2-(methylsulfanyl)pyrimidine-5-carboxylate is 76360-82-2.
What is the molecular formula of Ethyl 4-(methylamino)-2-(methylsulfanyl)pyrimidine-5-carboxylate?
The molecular formula of Ethyl 4-(methylamino)-2-(methylsulfanyl)pyrimidine-5-carboxylate is C9H13N3O2S.
What is the molecular weight of Ethyl 4-(methylamino)-2-(methylsulfanyl)pyrimidine-5-carboxylate?
The molecular weight of Ethyl 4-(methylamino)-2-(methylsulfanyl)pyrimidine-5-carboxylate is 227.07 g/mol.
Where can I buy Ethyl 4-(methylamino)-2-(methylsulfanyl)pyrimidine-5-carboxylate?
You can request a quote for Ethyl 4-(methylamino)-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-(methylamino)-2-(methylsulfanyl)pyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(methylamino)-2-(methylsulfanyl)pyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.