Pyrimidine, 4-chloro-2-(tert-butylamino)-6-(4-methylpiperazino)-5-methylthio-
TL;DR: Pyrimidine, 4-chloro-2-(tert-butylamino)-6-(4-methylpiperazino)-5-methylthio- (CAS 55477-20-8) is a chemical compound with molecular formula C14H24ClN5S and molecular weight 329.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-tert-butyl-4-chloro-6-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-2-amine
Also Known As: 4-Chloro-2- -6- -5- pyrimidine, 5-25-12-00572 (Beilstein Handbook Reference), Pyrimidine, 4-chloro-2-(tert-butylamino)-6-(4-methylpiperazino)-5-methylthio-, 2-tert-Butylamino-4-N-methylpiperazino-5-methylthio-6-chloro-pyrimidine, 4-Chloro-2-(tert-butylamino)-6-(4-methylpiperazino)-5-methylthiopyrimidine
| Molecular Formula | C14H24ClN5S |
|---|---|
| Molecular Weight | 329.14 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 329.1441 |
| Heavy Atoms | 21 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 55477-20-8 |
|---|---|
| SMILES | CC(C)(C)NC1=NC(=C(C(=N1)Cl)SC)N2CCN(CC2)C |
| InChIKey | JXKQVGCVDCOCJA-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-(tert-butylamino)-6-(4-methylpiperazino)-5-methylthio- (CAS 55477-20-8), with molecular formula C14H24ClN5S and molecular weight 329.14 g/mol. IUPAC: N-tert-butyl-4-chloro-6-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-2-amine.
Chemical Property Profile of Pyrimidine, 4-chloro-2-(tert-butylamino)-6-(4-methylpiperazino)-5-methylthio-
Property Insights of Pyrimidine, 4-chloro-2-(tert-butylamino)-6-(4-methylpiperazino)-5-methylthio-
The XLogP value of 3.2 indicates that Pyrimidine, 4-chloro-2-(tert-butylamino)-6-(4-methylpiperazino)-5-methylthio- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrimidine, 4-chloro-2-(tert-butylamino)-6-(4-methylpiperazino)-5-methylthio-. Following Lipinski's Rule of Five, Pyrimidine, 4-chloro-2-(tert-butylamino)-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-(tert-butylamino)-6-(4-methylpiperazino)-5-methylthio-?
The CAS number of Pyrimidine, 4-chloro-2-(tert-butylamino)-6-(4-methylpiperazino)-5-methylthio- is 55477-20-8.
What is the molecular formula of Pyrimidine, 4-chloro-2-(tert-butylamino)-6-(4-methylpiperazino)-5-methylthio-?
The molecular formula of Pyrimidine, 4-chloro-2-(tert-butylamino)-6-(4-methylpiperazino)-5-methylthio- is C14H24ClN5S.
What is the molecular weight of Pyrimidine, 4-chloro-2-(tert-butylamino)-6-(4-methylpiperazino)-5-methylthio-?
The molecular weight of Pyrimidine, 4-chloro-2-(tert-butylamino)-6-(4-methylpiperazino)-5-methylthio- is 329.14 g/mol.
Where can I buy Pyrimidine, 4-chloro-2-(tert-butylamino)-6-(4-methylpiperazino)-5-methylthio-?
You can request a quote for Pyrimidine, 4-chloro-2-(tert-butylamino)-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-(tert-butylamino)-6-(4-methylpiperazino)-5-methylthio-?
Yes, KEHONG BIO provides custom synthesis services for Pyrimidine, 4-chloro-2-(tert-butylamino)-6-(4-methylpiperazino)-5-methylthio- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.