2,4-Pyrimidinediamine, 6-chloro-N(sup 4)-(2-(diethylamino)ethyl)-N(sup 2)- (3,4-dimethoxyphenyl)-N(sup 2)-methyl-5-(methylthio)-, monohydrobromide
TL;DR: 2,4-Pyrimidinediamine, 6-chloro-N(sup 4)-(2-(diethylamino)ethyl)-N(sup 2)- (3,4-dimethoxyphenyl)-N(sup 2)-methyl-5-(methylthio)-, monohydrobromide (CAS 55417-08-8) is a chemical compound with molecular formula C20H31BrClN5O2S and molecular weight 519.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-4-N-[2-(diethylamino)ethyl]-2-N-(3,4-dimethoxyphenyl)-2-N-methyl-5-methylsulfanylpyrimidine-2,4-diamine;hydrobromide
Also Known As: 2,4-Pyrimidinediamine, 6-chloro-N(sup 4)-(2-(diethylamino)ethyl)-N(sup 2)- (3,4-dimethoxyphenyl)-N(sup 2)-methyl-5-(methylthio)-, monohydrobromide, 2,4-Pyrimidinediamine, 6-chloro-N(sup 4)-(2-(diethylamino)ethyl)-N(sup 2)-(3,4-dimethoxyphenyl)-N(sup 2)-methyl-5-(methylthio)-, monohydrobromide, 6-chloro-4-N-(2-diethylaminoethyl)-2-N-(3,4-dimethoxyphenyl)-2-N-methyl-5-methylsulfanylpyrimidine-2,4-diamine hydrobromide, 6-Chloro-N~4~-[2-(diethylamino)ethyl]-N~2~-(3,4-dimethoxyphenyl)-N~2~-methyl-5-(methylsulfanyl)pyrimidine-2,4-diamine--hydrogen bromide (1/1), RefChem:246926
| Molecular Formula | C20H31BrClN5O2S |
|---|---|
| Molecular Weight | 519.11 g/mol |
| LogP | 4.9686 |
| Topological Polar Surface Area | 62.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 519.10706 |
| Heavy Atoms | 30 |
| Complexity | 811.00653 |
Chemical Identifiers
| CAS Number | 55417-08-8 |
|---|---|
| SMILES | CCN(CC)CCNC1=C(C(=NC(=N1)N(C)C2=CC(=C(C=C2)OC)OC)Cl)SC.Br |
Product Overview
2,4-Pyrimidinediamine, 6-chloro-N(sup 4)-(2-(diethylamino)ethyl)-N(sup 2)- (3,4-dimethoxyphenyl)-N(sup 2)-methyl-5-(methylthio)-, monohydrobromide (CAS 55417-08-8), with molecular formula C20H31BrClN5O2S and molecular weight 519.11 g/mol. IUPAC: 6-chloro-4-N-[2-(diethylamino)ethyl]-2-N-(3,4-dimethoxyphenyl)-2-N-methyl-5-methylsulfanylpyrimidine-2,4-diamine;hydrobromide.
Chemical Property Profile of 2,4-Pyrimidinediamine, 6-chloro-N(sup 4)-(2-(diethylamino)ethyl)-N(sup 2)- (3,4-dimethoxyphenyl)-N(sup 2)-methyl-5-(methylthio)-, monohydrobromide
Property Insights of 2,4-Pyrimidinediamine, 6-chloro-N(sup 4)-(2-(diethylamino)ethyl)-N(sup 2)- (3,4-dimethoxyphenyl)-N(sup 2)-methyl-5-(methylthio)-, monohydrobromide
The XLogP value of 4.9686 indicates that 2,4-Pyrimidinediamine, 6-chloro-N(sup 4)-(2-(diethylamino)ethyl)-N(sup 2)- (3,4-dimethoxyphenyl)-N(sup 2)-methyl-5-(methylthio)-, monohydrobromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Pyrimidinediamine, 6-chloro-N(sup 4)-(2-(diethylamino)ethyl)-N(sup 2)- (3,4-dimethoxyphenyl)-N(sup 2)-methyl-5-(methylthio)-, monohydrobromide. Following Lipinski's Rule of Five, 2,4-Pyrimidinediamine, 6-chloro-N(sup 4)-(2-(diethylamino)ethyl)-N(sup 2)- (3,4-dimethoxyphenyl)-N(sup 2)-methyl-5-(methylthio)-, monohydrobromide has 1 hydrogen bond donor(s) and 8 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, 6-chloro-N(sup 4)-(2-(diethylamino)ethyl)-N(sup 2)- (3,4-dimethoxyphenyl)-N(sup 2)-methyl-5-(methylthio)-, monohydrobromide?
The CAS number of 2,4-Pyrimidinediamine, 6-chloro-N(sup 4)-(2-(diethylamino)ethyl)-N(sup 2)- (3,4-dimethoxyphenyl)-N(sup 2)-methyl-5-(methylthio)-, monohydrobromide is 55417-08-8.
What is the molecular formula of 2,4-Pyrimidinediamine, 6-chloro-N(sup 4)-(2-(diethylamino)ethyl)-N(sup 2)- (3,4-dimethoxyphenyl)-N(sup 2)-methyl-5-(methylthio)-, monohydrobromide?
The molecular formula of 2,4-Pyrimidinediamine, 6-chloro-N(sup 4)-(2-(diethylamino)ethyl)-N(sup 2)- (3,4-dimethoxyphenyl)-N(sup 2)-methyl-5-(methylthio)-, monohydrobromide is C20H31BrClN5O2S.
What is the molecular weight of 2,4-Pyrimidinediamine, 6-chloro-N(sup 4)-(2-(diethylamino)ethyl)-N(sup 2)- (3,4-dimethoxyphenyl)-N(sup 2)-methyl-5-(methylthio)-, monohydrobromide?
The molecular weight of 2,4-Pyrimidinediamine, 6-chloro-N(sup 4)-(2-(diethylamino)ethyl)-N(sup 2)- (3,4-dimethoxyphenyl)-N(sup 2)-methyl-5-(methylthio)-, monohydrobromide is 519.11 g/mol.
Where can I buy 2,4-Pyrimidinediamine, 6-chloro-N(sup 4)-(2-(diethylamino)ethyl)-N(sup 2)- (3,4-dimethoxyphenyl)-N(sup 2)-methyl-5-(methylthio)-, monohydrobromide?
You can request a quote for 2,4-Pyrimidinediamine, 6-chloro-N(sup 4)-(2-(diethylamino)ethyl)-N(sup 2)- (3,4-dimethoxyphenyl)-N(sup 2)-methyl-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 2,4-Pyrimidinediamine, 6-chloro-N(sup 4)-(2-(diethylamino)ethyl)-N(sup 2)- (3,4-dimethoxyphenyl)-N(sup 2)-methyl-5-(methylthio)-, monohydrobromide?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Pyrimidinediamine, 6-chloro-N(sup 4)-(2-(diethylamino)ethyl)-N(sup 2)- (3,4-dimethoxyphenyl)-N(sup 2)-methyl-5-(methylthio)-, monohydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.