Pyrimidine, 4-chloro-2-ethylamino-6-(4-methylpiperazino)-5-methylthio-
TL;DR: Pyrimidine, 4-chloro-2-ethylamino-6-(4-methylpiperazino)-5-methylthio- (CAS 55477-17-3) is a chemical compound with molecular formula C12H20ClN5S and molecular weight 301.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-ethyl-6-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-2-amine
Also Known As: 4-Benzyl-4-methyl-morpholinium,Chlorid, n-ethyl-4-chloro-6-5- pyrimidin-2-amine, Pyrimidine, 4-chloro-2-ethylamino-6-(4-methylpiperazino)-5-methylthio-, 5-25-12-00572 (Beilstein Handbook Reference), N-Ethyl-4-chloro-6- -5- pyrimidin-2-amine
| Molecular Formula | C12H20ClN5S |
|---|---|
| Molecular Weight | 301.11 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 301.1128 |
| Heavy Atoms | 19 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 55477-17-3 |
|---|---|
| SMILES | CCNC1=NC(=C(C(=N1)Cl)SC)N2CCN(CC2)C |
| InChIKey | TUENCHQASOGYGU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pyrimidine, 4-chloro-2-ethylamino-6-(4-methylpiperazino)-5-methylthio- (CAS 55477-17-3), with molecular formula C12H20ClN5S and molecular weight 301.11 g/mol. IUPAC: 4-chloro-N-ethyl-6-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-2-amine.
Chemical Property Profile of Pyrimidine, 4-chloro-2-ethylamino-6-(4-methylpiperazino)-5-methylthio-
Property Insights of Pyrimidine, 4-chloro-2-ethylamino-6-(4-methylpiperazino)-5-methylthio-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrimidine, 4-chloro-2-ethylamino-6-(4-methylpiperazino)-5-methylthio-. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrimidine, 4-chloro-2-ethylamino-6-(4-methylpiperazino)-5-methylthio-. Following Lipinski's Rule of Five, Pyrimidine, 4-chloro-2-ethylamino-6-(4-methylpiperazino)-5-methylthio- 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 Pyrimidine, 4-chloro-2-ethylamino-6-(4-methylpiperazino)-5-methylthio-?
The CAS number of Pyrimidine, 4-chloro-2-ethylamino-6-(4-methylpiperazino)-5-methylthio- is 55477-17-3.
What is the molecular formula of Pyrimidine, 4-chloro-2-ethylamino-6-(4-methylpiperazino)-5-methylthio-?
The molecular formula of Pyrimidine, 4-chloro-2-ethylamino-6-(4-methylpiperazino)-5-methylthio- is C12H20ClN5S.
What is the molecular weight of Pyrimidine, 4-chloro-2-ethylamino-6-(4-methylpiperazino)-5-methylthio-?
The molecular weight of Pyrimidine, 4-chloro-2-ethylamino-6-(4-methylpiperazino)-5-methylthio- is 301.11 g/mol.
Where can I buy Pyrimidine, 4-chloro-2-ethylamino-6-(4-methylpiperazino)-5-methylthio-?
You can request a quote for Pyrimidine, 4-chloro-2-ethylamino-6-(4-methylpiperazino)-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-2-ethylamino-6-(4-methylpiperazino)-5-methylthio-?
Yes, KEHONG BIO provides custom synthesis services for Pyrimidine, 4-chloro-2-ethylamino-6-(4-methylpiperazino)-5-methylthio- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.