5-Pyrimidinamine, 2-chloro-4-(ethylthio)-
TL;DR: 5-Pyrimidinamine, 2-chloro-4-(ethylthio)- (CAS 54789-34-3) is a chemical compound with molecular formula C6H8ClN3S and molecular weight 189.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-4-ethylsulfanylpyrimidin-5-amine
Also Known As: 2-Chloro-4-ethylthio-5-pyrimidinamine, 5-Pyrimidinamine, 2-chloro-4-(ethylthio)-, 2-chloro-4-(ethylthio)pyrimidin-5-amine, 2-chloro-4-ethylsulfanylpyrimidin-5-amine, 2-chloro-4-(ethylsulfanyl)pyrimidin-5-amine
| Molecular Formula | C6H8ClN3S |
|---|---|
| Molecular Weight | 189.01 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 77.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 189.01274 |
| Heavy Atoms | 11 |
| Complexity | 124.0 |
Chemical Identifiers
| CAS Number | 54789-34-3 |
|---|---|
| SMILES | CCSC1=NC(=NC=C1N)Cl |
| InChIKey | JRJRMKIDWNYONV-UHFFFAOYSA-N |
Product Overview
5-Pyrimidinamine, 2-chloro-4-(ethylthio)- (CAS 54789-34-3), with molecular formula C6H8ClN3S and molecular weight 189.01 g/mol. IUPAC: 2-chloro-4-ethylsulfanylpyrimidin-5-amine.
Chemical Property Profile of 5-Pyrimidinamine, 2-chloro-4-(ethylthio)-
Property Insights of 5-Pyrimidinamine, 2-chloro-4-(ethylthio)-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Pyrimidinamine, 2-chloro-4-(ethylthio)-. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Pyrimidinamine, 2-chloro-4-(ethylthio)-. Following Lipinski's Rule of Five, 5-Pyrimidinamine, 2-chloro-4-(ethylthio)- has 1 hydrogen bond donor(s) and 4 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 5-Pyrimidinamine, 2-chloro-4-(ethylthio)-?
The CAS number of 5-Pyrimidinamine, 2-chloro-4-(ethylthio)- is 54789-34-3.
What is the molecular formula of 5-Pyrimidinamine, 2-chloro-4-(ethylthio)-?
The molecular formula of 5-Pyrimidinamine, 2-chloro-4-(ethylthio)- is C6H8ClN3S.
What is the molecular weight of 5-Pyrimidinamine, 2-chloro-4-(ethylthio)-?
The molecular weight of 5-Pyrimidinamine, 2-chloro-4-(ethylthio)- is 189.01 g/mol.
Where can I buy 5-Pyrimidinamine, 2-chloro-4-(ethylthio)-?
You can request a quote for 5-Pyrimidinamine, 2-chloro-4-(ethylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Pyrimidinamine, 2-chloro-4-(ethylthio)-?
Yes, KEHONG BIO provides custom synthesis services for 5-Pyrimidinamine, 2-chloro-4-(ethylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.