2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-chloro-N(sup 2)-methyl-5-(methylthio)-N(sup 2)-(phenylmethyl)-
TL;DR: 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-chloro-N(sup 2)-methyl-5-(methylthio)-N(sup 2)-(phenylmethyl)- (CAS 55417-00-0) 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.
2-N-benzyl-6-chloro-4-N-[2-[di(propan-2-yl)amino]ethyl]-2-N-methyl-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-5-(methylthio)-N(sup 2)-(phenylmethyl)-, 2-N-Methyl-N-benzylamino-4-(2'-di-isopropylamino)ethylamino-5-methylthio-6-chloropyrimidine, 2-N-benzyl-6-chloro-4-N-[2-[di(propan-2-yl)amino]ethyl]-2-N-methyl-5-methylsulfanylpyrimidine-2,4-diamine, N~2~-Benzyl-6-chloro-N~4~-{2-[di(propan-2-yl)amino]ethyl}-N~2~-methyl-5-(methylsulfanyl)pyrimidine-2,4-diamine, RefChem:246943
| Molecular Formula | C21H32ClN5S |
|---|---|
| Molecular Weight | 421.21 g/mol |
| LogP | 5.019 |
| Topological Polar Surface Area | 44.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 421.2067 |
| Heavy Atoms | 28 |
| Complexity | 731.07587 |
Chemical Identifiers
| CAS Number | 55417-00-0 |
|---|---|
| SMILES | CC(C)N(CCNC1=C(C(=NC(=N1)N(C)CC2=CC=CC=C2)Cl)SC)C(C)C |
Product Overview
2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-chloro-N(sup 2)-methyl-5-(methylthio)-N(sup 2)-(phenylmethyl)- (CAS 55417-00-0), with molecular formula C21H32ClN5S and molecular weight 421.21 g/mol. IUPAC: 2-N-benzyl-6-chloro-4-N-[2-[di(propan-2-yl)amino]ethyl]-2-N-methyl-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-5-(methylthio)-N(sup 2)-(phenylmethyl)-
Property Insights of 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-chloro-N(sup 2)-methyl-5-(methylthio)-N(sup 2)-(phenylmethyl)-
The XLogP value of 5.019 indicates that 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-chloro-N(sup 2)-methyl-5-(methylthio)-N(sup 2)-(phenylmethyl)- 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-5-(methylthio)-N(sup 2)-(phenylmethyl)- 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-5-(methylthio)-N(sup 2)-(phenylmethyl)- 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-5-(methylthio)-N(sup 2)-(phenylmethyl)-?
The CAS number of 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-chloro-N(sup 2)-methyl-5-(methylthio)-N(sup 2)-(phenylmethyl)- is 55417-00-0.
What is the molecular formula of 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-chloro-N(sup 2)-methyl-5-(methylthio)-N(sup 2)-(phenylmethyl)-?
The molecular formula of 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-chloro-N(sup 2)-methyl-5-(methylthio)-N(sup 2)-(phenylmethyl)- 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-5-(methylthio)-N(sup 2)-(phenylmethyl)-?
The molecular weight of 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-chloro-N(sup 2)-methyl-5-(methylthio)-N(sup 2)-(phenylmethyl)- 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-5-(methylthio)-N(sup 2)-(phenylmethyl)-?
You can request a quote for 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-chloro-N(sup 2)-methyl-5-(methylthio)-N(sup 2)-(phenylmethyl)- 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-5-(methylthio)-N(sup 2)-(phenylmethyl)-?
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-5-(methylthio)-N(sup 2)-(phenylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.