Pyrimidine, 4-chloro-6-(2-hydroxyethylpiperazino)-2-methylamino-5-methylthio
TL;DR: Pyrimidine, 4-chloro-6-(2-hydroxyethylpiperazino)-2-methylamino-5-methylthio (CAS 55477-27-5) is a chemical compound with molecular formula C12H20ClN5OS and molecular weight 317.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[6-chloro-2-(methylamino)-5-methylsulfanylpyrimidin-4-yl]piperazin-1-yl]ethanol
Also Known As: 5-25-12-00572 (Beilstein Handbook Reference), Pyrimidine, 4-chloro-6-(2-hydroxyethylpiperazino)-2-methylamino-5-methylthio, 4-Chloro-6-(2-hydroxyethylpiperazino)-2-methylamino-5-methylthiopyrimidine, 2-Methylamino-4-N-(beta-hydroxyethyl)-piperazino-6-chloro-5-methylthio-pyrimidine, 2-[4-[6-chloro-2-(methylamino)-5-methylsulfanylpyrimidin-4-yl]piperazin-1-yl]ethanol
| Molecular Formula | C12H20ClN5OS |
|---|---|
| Molecular Weight | 317.11 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 89.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 317.1077 |
| Heavy Atoms | 20 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 55477-27-5 |
|---|---|
| SMILES | CNC1=NC(=C(C(=N1)Cl)SC)N2CCN(CC2)CCO |
| InChIKey | RGXCCTUBFMDKJO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pyrimidine, 4-chloro-6-(2-hydroxyethylpiperazino)-2-methylamino-5-methylthio (CAS 55477-27-5), with molecular formula C12H20ClN5OS and molecular weight 317.11 g/mol. IUPAC: 2-[4-[6-chloro-2-(methylamino)-5-methylsulfanylpyrimidin-4-yl]piperazin-1-yl]ethanol.
Chemical Property Profile of Pyrimidine, 4-chloro-6-(2-hydroxyethylpiperazino)-2-methylamino-5-methylthio
Property Insights of Pyrimidine, 4-chloro-6-(2-hydroxyethylpiperazino)-2-methylamino-5-methylthio
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrimidine, 4-chloro-6-(2-hydroxyethylpiperazino)-2-methylamino-5-methylthio. The TPSA of 89.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrimidine, 4-chloro-6-(2-hydroxyethylpiperazino)-2-methylamino-5-methylthio. Following Lipinski's Rule of Five, Pyrimidine, 4-chloro-6-(2-hydroxyethylpiperazino)-2-methylamino-5-methylthio has 2 hydrogen bond donor(s) and 7 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 Pyrimidine, 4-chloro-6-(2-hydroxyethylpiperazino)-2-methylamino-5-methylthio?
The CAS number of Pyrimidine, 4-chloro-6-(2-hydroxyethylpiperazino)-2-methylamino-5-methylthio is 55477-27-5.
What is the molecular formula of Pyrimidine, 4-chloro-6-(2-hydroxyethylpiperazino)-2-methylamino-5-methylthio?
The molecular formula of Pyrimidine, 4-chloro-6-(2-hydroxyethylpiperazino)-2-methylamino-5-methylthio is C12H20ClN5OS.
What is the molecular weight of Pyrimidine, 4-chloro-6-(2-hydroxyethylpiperazino)-2-methylamino-5-methylthio?
The molecular weight of Pyrimidine, 4-chloro-6-(2-hydroxyethylpiperazino)-2-methylamino-5-methylthio is 317.11 g/mol.
Where can I buy Pyrimidine, 4-chloro-6-(2-hydroxyethylpiperazino)-2-methylamino-5-methylthio?
You can request a quote for Pyrimidine, 4-chloro-6-(2-hydroxyethylpiperazino)-2-methylamino-5-methylthio directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrimidine, 4-chloro-6-(2-hydroxyethylpiperazino)-2-methylamino-5-methylthio?
Yes, KEHONG BIO provides custom synthesis services for Pyrimidine, 4-chloro-6-(2-hydroxyethylpiperazino)-2-methylamino-5-methylthio and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.