2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-chloro-N(sup 2)-methyl-N(sup 2)-(4-methylphenyl)-5-(methylthio)-
TL;DR: 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-chloro-N(sup 2)-methyl-N(sup 2)-(4-methylphenyl)-5-(methylthio)- (CAS 55417-03-3) is a chemical compound with molecular formula C21H32ClN5S and molecular weight 421.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-4-N-[2-[di(propan-2-yl)amino]ethyl]-2-N-methyl-2-N-(4-methylphenyl)-5-methylsulfanylpyrimidine-2,4-diamine
Also Known As: 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-chloro-N(sup 2)-methyl-N(sup 2)-(4-methylphenyl)-5-(methylthio)-, 6-chloro-4-N-[2-[di(propan-2-yl)amino]ethyl]-2-N-methyl-2-N-(4-methylphenyl)-5-methylsulfanylpyrimidine-2,4-diamine, 6-Chloro-N~4~-{2-[di(propan-2-yl)amino]ethyl}-N~2~-methyl-N~2~-(4-methylphenyl)-5-(methylsulfanyl)pyrimidine-2,4-diamine, RefChem:246945
| Molecular Formula | C21H32ClN5S |
|---|---|
| Molecular Weight | 421.21 g/mol |
| LogP | 5.45892 |
| Topological Polar Surface Area | 44.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 421.2067 |
| Heavy Atoms | 28 |
| Complexity | 756.1364 |
Chemical Identifiers
| CAS Number | 55417-03-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N(C)C2=NC(=C(C(=N2)Cl)SC)NCCN(C(C)C)C(C)C |
Product Overview
2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-chloro-N(sup 2)-methyl-N(sup 2)-(4-methylphenyl)-5-(methylthio)- (CAS 55417-03-3), with molecular formula C21H32ClN5S and molecular weight 421.21 g/mol. IUPAC: 6-chloro-4-N-[2-[di(propan-2-yl)amino]ethyl]-2-N-methyl-2-N-(4-methylphenyl)-5-methylsulfanylpyrimidine-2,4-diamine.
Chemical Property Profile of 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-chloro-N(sup 2)-methyl-N(sup 2)-(4-methylphenyl)-5-(methylthio)-
Property Insights of 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-chloro-N(sup 2)-methyl-N(sup 2)-(4-methylphenyl)-5-(methylthio)-
The XLogP value of 5.45892 indicates that 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-chloro-N(sup 2)-methyl-N(sup 2)-(4-methylphenyl)-5-(methylthio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.29 Ų, 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-chloro-N(sup 2)-methyl-N(sup 2)-(4-methylphenyl)-5-(methylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-chloro-N(sup 2)-methyl-N(sup 2)-(4-methylphenyl)-5-(methylthio)- has 1 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 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-chloro-N(sup 2)-methyl-N(sup 2)-(4-methylphenyl)-5-(methylthio)-?
The CAS number of 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-chloro-N(sup 2)-methyl-N(sup 2)-(4-methylphenyl)-5-(methylthio)- is 55417-03-3.
What is the molecular formula of 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-chloro-N(sup 2)-methyl-N(sup 2)-(4-methylphenyl)-5-(methylthio)-?
The molecular formula of 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-chloro-N(sup 2)-methyl-N(sup 2)-(4-methylphenyl)-5-(methylthio)- is C21H32ClN5S.
What is the molecular weight of 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-chloro-N(sup 2)-methyl-N(sup 2)-(4-methylphenyl)-5-(methylthio)-?
The molecular weight of 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-chloro-N(sup 2)-methyl-N(sup 2)-(4-methylphenyl)-5-(methylthio)- is 421.21 g/mol.
Where can I buy 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-chloro-N(sup 2)-methyl-N(sup 2)-(4-methylphenyl)-5-(methylthio)-?
You can request a quote for 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-chloro-N(sup 2)-methyl-N(sup 2)-(4-methylphenyl)-5-(methylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-chloro-N(sup 2)-methyl-N(sup 2)-(4-methylphenyl)-5-(methylthio)-?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-chloro-N(sup 2)-methyl-N(sup 2)-(4-methylphenyl)-5-(methylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.