2-Pyrimidinamine, 4-(2-(bis(1-methylethyl)amino)ethoxy)-6-chloro-N-methyl-N-(4-methylphenyl)-5-(methylthio)-, monohydrobromide
TL;DR: 2-Pyrimidinamine, 4-(2-(bis(1-methylethyl)amino)ethoxy)-6-chloro-N-methyl-N-(4-methylphenyl)-5-(methylthio)-, monohydrobromide (CAS 57259-28-6) is a chemical compound with molecular formula C21H32BrClN4OS and molecular weight 502.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-6-[2-[di(propan-2-yl)amino]ethoxy]-N-methyl-N-(4-methylphenyl)-5-methylsulfanylpyrimidin-2-amine;hydrobromide
Also Known As: 2-Pyrimidinamine, 4-(2-(bis(1-methylethyl)amino)ethoxy)-6-chloro-N-methyl-N-(4-methylphenyl)-5-(methylthio)-, monohydrobromide, N-Methyl-2-p-toluidin-4-(2'-N,N-diisopropylamino)-aethoxy-5-methylthio-6-chlorpyrimidin HBr, 4-chloro-6-[2-[di(propan-2-yl)amino]ethoxy]-N-methyl-N-(4-methylphenyl)-5-methylsulfanylpyrimidin-2-amine hydrobromide, 4-Chloro-6-{2-[di(propan-2-yl)amino]ethoxy}-N-methyl-N-(4-methylphenyl)-5-(methylsulfanyl)pyrimidin-2-amine--hydrogen bromide (1/1), RefChem:266674
| Molecular Formula | C21H32BrClN4OS |
|---|---|
| Molecular Weight | 502.12 g/mol |
| LogP | 6.00372 |
| Topological Polar Surface Area | 41.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 502.11688 |
| Heavy Atoms | 29 |
| Complexity | 766.02155 |
Chemical Identifiers
| CAS Number | 57259-28-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N(C)C2=NC(=C(C(=N2)Cl)SC)OCCN(C(C)C)C(C)C.Br |
Product Overview
2-Pyrimidinamine, 4-(2-(bis(1-methylethyl)amino)ethoxy)-6-chloro-N-methyl-N-(4-methylphenyl)-5-(methylthio)-, monohydrobromide (CAS 57259-28-6), with molecular formula C21H32BrClN4OS and molecular weight 502.12 g/mol. IUPAC: 4-chloro-6-[2-[di(propan-2-yl)amino]ethoxy]-N-methyl-N-(4-methylphenyl)-5-methylsulfanylpyrimidin-2-amine;hydrobromide.
Chemical Property Profile of 2-Pyrimidinamine, 4-(2-(bis(1-methylethyl)amino)ethoxy)-6-chloro-N-methyl-N-(4-methylphenyl)-5-(methylthio)-, monohydrobromide
Property Insights of 2-Pyrimidinamine, 4-(2-(bis(1-methylethyl)amino)ethoxy)-6-chloro-N-methyl-N-(4-methylphenyl)-5-(methylthio)-, monohydrobromide
The XLogP value of 6.00372 indicates that 2-Pyrimidinamine, 4-(2-(bis(1-methylethyl)amino)ethoxy)-6-chloro-N-methyl-N-(4-methylphenyl)-5-(methylthio)-, monohydrobromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.49 Ų, 2-Pyrimidinamine, 4-(2-(bis(1-methylethyl)amino)ethoxy)-6-chloro-N-methyl-N-(4-methylphenyl)-5-(methylthio)-, monohydrobromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Pyrimidinamine, 4-(2-(bis(1-methylethyl)amino)ethoxy)-6-chloro-N-methyl-N-(4-methylphenyl)-5-(methylthio)-, monohydrobromide has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Pyrimidinamine, 4-(2-(bis(1-methylethyl)amino)ethoxy)-6-chloro-N-methyl-N-(4-methylphenyl)-5-(methylthio)-, monohydrobromide?
The CAS number of 2-Pyrimidinamine, 4-(2-(bis(1-methylethyl)amino)ethoxy)-6-chloro-N-methyl-N-(4-methylphenyl)-5-(methylthio)-, monohydrobromide is 57259-28-6.
What is the molecular formula of 2-Pyrimidinamine, 4-(2-(bis(1-methylethyl)amino)ethoxy)-6-chloro-N-methyl-N-(4-methylphenyl)-5-(methylthio)-, monohydrobromide?
The molecular formula of 2-Pyrimidinamine, 4-(2-(bis(1-methylethyl)amino)ethoxy)-6-chloro-N-methyl-N-(4-methylphenyl)-5-(methylthio)-, monohydrobromide is C21H32BrClN4OS.
What is the molecular weight of 2-Pyrimidinamine, 4-(2-(bis(1-methylethyl)amino)ethoxy)-6-chloro-N-methyl-N-(4-methylphenyl)-5-(methylthio)-, monohydrobromide?
The molecular weight of 2-Pyrimidinamine, 4-(2-(bis(1-methylethyl)amino)ethoxy)-6-chloro-N-methyl-N-(4-methylphenyl)-5-(methylthio)-, monohydrobromide is 502.12 g/mol.
Where can I buy 2-Pyrimidinamine, 4-(2-(bis(1-methylethyl)amino)ethoxy)-6-chloro-N-methyl-N-(4-methylphenyl)-5-(methylthio)-, monohydrobromide?
You can request a quote for 2-Pyrimidinamine, 4-(2-(bis(1-methylethyl)amino)ethoxy)-6-chloro-N-methyl-N-(4-methylphenyl)-5-(methylthio)-, monohydrobromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Pyrimidinamine, 4-(2-(bis(1-methylethyl)amino)ethoxy)-6-chloro-N-methyl-N-(4-methylphenyl)-5-(methylthio)-, monohydrobromide?
Yes, KEHONG BIO provides custom synthesis services for 2-Pyrimidinamine, 4-(2-(bis(1-methylethyl)amino)ethoxy)-6-chloro-N-methyl-N-(4-methylphenyl)-5-(methylthio)-, monohydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.