4-Chloro-2-(N-methylanilino)-6-(4-methylpiperazino)-5-(methylthio)pyrimidine
TL;DR: 4-Chloro-2-(N-methylanilino)-6-(4-methylpiperazino)-5-(methylthio)pyrimidine (CAS 63731-97-5) is a chemical compound with molecular formula C17H22ClN5S and molecular weight 363.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)-5-methylsulfanyl-N-phenylpyrimidin-2-amine
Also Known As: 4-chloro-2-6-5- pyrimidine, 4-Chloro-2- -6- -5- pyrimidine, 4-Chloro-2-(N-methylanilino)-6-(4-methylpiperazino)-5-(methylthio)pyrimidine, 2-Pyrimidinamine, 4-chloro-N-methyl-6-(4-methyl-1-piperazinyl)-5-(methylthio)-N-phenyl-, 4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)-5-(methylsulfanyl)-N-phenylpyrimidin-2-amine
| Molecular Formula | C17H22ClN5S |
|---|---|
| Molecular Weight | 363.13 g/mol |
| LogP | 3.3716 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 363.12845 |
| Heavy Atoms | 24 |
| Complexity | 688.8803 |
Chemical Identifiers
| CAS Number | 63731-97-5 |
|---|---|
| SMILES | CN1CCN(CC1)C2=C(C(=NC(=N2)N(C)C3=CC=CC=C3)Cl)SC |
Product Overview
4-Chloro-2-(N-methylanilino)-6-(4-methylpiperazino)-5-(methylthio)pyrimidine (CAS 63731-97-5), with molecular formula C17H22ClN5S and molecular weight 363.13 g/mol. IUPAC: 4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)-5-methylsulfanyl-N-phenylpyrimidin-2-amine.
Chemical Property Profile of 4-Chloro-2-(N-methylanilino)-6-(4-methylpiperazino)-5-(methylthio)pyrimidine
Property Insights of 4-Chloro-2-(N-methylanilino)-6-(4-methylpiperazino)-5-(methylthio)pyrimidine
The XLogP value of 3.3716 indicates that 4-Chloro-2-(N-methylanilino)-6-(4-methylpiperazino)-5-(methylthio)pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 4-Chloro-2-(N-methylanilino)-6-(4-methylpiperazino)-5-(methylthio)pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2-(N-methylanilino)-6-(4-methylpiperazino)-5-(methylthio)pyrimidine has 0 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 4-Chloro-2-(N-methylanilino)-6-(4-methylpiperazino)-5-(methylthio)pyrimidine?
The CAS number of 4-Chloro-2-(N-methylanilino)-6-(4-methylpiperazino)-5-(methylthio)pyrimidine is 63731-97-5.
What is the molecular formula of 4-Chloro-2-(N-methylanilino)-6-(4-methylpiperazino)-5-(methylthio)pyrimidine?
The molecular formula of 4-Chloro-2-(N-methylanilino)-6-(4-methylpiperazino)-5-(methylthio)pyrimidine is C17H22ClN5S.
What is the molecular weight of 4-Chloro-2-(N-methylanilino)-6-(4-methylpiperazino)-5-(methylthio)pyrimidine?
The molecular weight of 4-Chloro-2-(N-methylanilino)-6-(4-methylpiperazino)-5-(methylthio)pyrimidine is 363.13 g/mol.
Where can I buy 4-Chloro-2-(N-methylanilino)-6-(4-methylpiperazino)-5-(methylthio)pyrimidine?
You can request a quote for 4-Chloro-2-(N-methylanilino)-6-(4-methylpiperazino)-5-(methylthio)pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-2-(N-methylanilino)-6-(4-methylpiperazino)-5-(methylthio)pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-(N-methylanilino)-6-(4-methylpiperazino)-5-(methylthio)pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.