![6-Chloro-2-[[(3-chlorophenyl)methyl]thio]-4-pyrimidinamine structure](/static/products/1667/166751-69-5.webp)
6-Chloro-2-[[(3-chlorophenyl)methyl]thio]-4-pyrimidinamine
TL;DR: 6-Chloro-2-[[(3-chlorophenyl)methyl]thio]-4-pyrimidinamine (CAS 166751-69-5) is a chemical compound with molecular formula C11H9Cl2N3S and molecular weight 284.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-2-[(3-chlorophenyl)methylsulfanyl]pyrimidin-4-amine
Also Known As: Pyrimidine analog, J1.016.767A, 6-Chloro-2-[[(3-chlorophenyl)methyl]thio]-4-pyrimidinamine, 2-(3-Chlorobenzylthio)-6-chloropyrimidine-4-amine, 6-chloro-2-[(3-chlorophenyl)methylsulfanyl]pyrimidin-4-amine
| Molecular Formula | C11H9Cl2N3S |
|---|---|
| Molecular Weight | 284.99 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 77.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.9894 |
| Heavy Atoms | 17 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 166751-69-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)CSC2=NC(=CC(=N2)Cl)N |
| InChIKey | XLZPAEFOPLTJNT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Chloro-2-[[(3-chlorophenyl)methyl]thio]-4-pyrimidinamine (CAS 166751-69-5), with molecular formula C11H9Cl2N3S and molecular weight 284.99 g/mol. IUPAC: 6-chloro-2-[(3-chlorophenyl)methylsulfanyl]pyrimidin-4-amine.
Chemical Property Profile of 6-Chloro-2-[[(3-chlorophenyl)methyl]thio]-4-pyrimidinamine
Property Insights of 6-Chloro-2-[[(3-chlorophenyl)methyl]thio]-4-pyrimidinamine
The XLogP value of 3.8 indicates that 6-Chloro-2-[[(3-chlorophenyl)methyl]thio]-4-pyrimidinamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Chloro-2-[[(3-chlorophenyl)methyl]thio]-4-pyrimidinamine. Following Lipinski's Rule of Five, 6-Chloro-2-[[(3-chlorophenyl)methyl]thio]-4-pyrimidinamine 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 6-Chloro-2-[[(3-chlorophenyl)methyl]thio]-4-pyrimidinamine?
The CAS number of 6-Chloro-2-[[(3-chlorophenyl)methyl]thio]-4-pyrimidinamine is 166751-69-5.
What is the molecular formula of 6-Chloro-2-[[(3-chlorophenyl)methyl]thio]-4-pyrimidinamine?
The molecular formula of 6-Chloro-2-[[(3-chlorophenyl)methyl]thio]-4-pyrimidinamine is C11H9Cl2N3S.
What is the molecular weight of 6-Chloro-2-[[(3-chlorophenyl)methyl]thio]-4-pyrimidinamine?
The molecular weight of 6-Chloro-2-[[(3-chlorophenyl)methyl]thio]-4-pyrimidinamine is 284.99 g/mol.
Where can I buy 6-Chloro-2-[[(3-chlorophenyl)methyl]thio]-4-pyrimidinamine?
You can request a quote for 6-Chloro-2-[[(3-chlorophenyl)methyl]thio]-4-pyrimidinamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Chloro-2-[[(3-chlorophenyl)methyl]thio]-4-pyrimidinamine?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloro-2-[[(3-chlorophenyl)methyl]thio]-4-pyrimidinamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.