2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-((2-(dimethylamino)ethoxy)methyl)-N(sup 2)-methyl-5-(methylthio)-N(sup 2)-phenyl-, dihydrobromide
TL;DR: 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-((2-(dimethylamino)ethoxy)methyl)-N(sup 2)-methyl-5-(methylthio)-N(sup 2)-phenyl-, dihydrobromide (CAS 55976-47-1) is a chemical compound with molecular formula C25H44Br2N6OS and molecular weight 634.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[2-(dimethylamino)ethoxymethyl]-4-N-[2-[di(propan-2-yl)amino]ethyl]-2-N-methyl-5-methylsulfanyl-2-N-phenylpyrimidine-2,4-diamine;dihydrobromide
Also Known As: 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-((2-(dimethylamino)ethoxy)methyl)-N(sup 2)-methyl-5-(methylthio)-N(sup 2)-phenyl-, dihydrobromide, 6-(2-dimethylaminoethyloxymethyl)-4-N-[2-[di(propan-2-yl)amino]ethyl]-2-N-methyl-5-methylsulfanyl-2-N-phenylpyrimidine-2,4-diamine dihydrobromide, 6-{[2-(Dimethylamino)ethoxy]methyl}-N~4~-{2-[di(propan-2-yl)amino]ethyl}-N~2~-methyl-5-(methylsulfanyl)-N~2~-phenylpyrimidine-2,4-diamine--hydrogen bromide (1/2), RefChem:246936
| Molecular Formula | C25H44Br2N6OS |
|---|---|
| Molecular Weight | 634.17 g/mol |
| LogP | 5.7311 |
| Topological Polar Surface Area | 56.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 14 |
| Exact Mass | 634.1664 |
| Heavy Atoms | 35 |
| Complexity | 834.2068 |
Chemical Identifiers
| CAS Number | 55976-47-1 |
|---|---|
| SMILES | CC(C)N(CCNC1=NC(=NC(=C1SC)COCCN(C)C)N(C)C2=CC=CC=C2)C(C)C.Br.Br |
Product Overview
2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-((2-(dimethylamino)ethoxy)methyl)-N(sup 2)-methyl-5-(methylthio)-N(sup 2)-phenyl-, dihydrobromide (CAS 55976-47-1), with molecular formula C25H44Br2N6OS and molecular weight 634.17 g/mol. IUPAC: 6-[2-(dimethylamino)ethoxymethyl]-4-N-[2-[di(propan-2-yl)amino]ethyl]-2-N-methyl-5-methylsulfanyl-2-N-phenylpyrimidine-2,4-diamine;dihydrobromide.
Chemical Property Profile of 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-((2-(dimethylamino)ethoxy)methyl)-N(sup 2)-methyl-5-(methylthio)-N(sup 2)-phenyl-, dihydrobromide
Property Insights of 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-((2-(dimethylamino)ethoxy)methyl)-N(sup 2)-methyl-5-(methylthio)-N(sup 2)-phenyl-, dihydrobromide
The XLogP value of 5.7311 indicates that 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-((2-(dimethylamino)ethoxy)methyl)-N(sup 2)-methyl-5-(methylthio)-N(sup 2)-phenyl-, dihydrobromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.76 Ų, 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-((2-(dimethylamino)ethoxy)methyl)-N(sup 2)-methyl-5-(methylthio)-N(sup 2)-phenyl-, dihydrobromide 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-((2-(dimethylamino)ethoxy)methyl)-N(sup 2)-methyl-5-(methylthio)-N(sup 2)-phenyl-, dihydrobromide 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, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-((2-(dimethylamino)ethoxy)methyl)-N(sup 2)-methyl-5-(methylthio)-N(sup 2)-phenyl-, dihydrobromide?
The CAS number of 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-((2-(dimethylamino)ethoxy)methyl)-N(sup 2)-methyl-5-(methylthio)-N(sup 2)-phenyl-, dihydrobromide is 55976-47-1.
What is the molecular formula of 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-((2-(dimethylamino)ethoxy)methyl)-N(sup 2)-methyl-5-(methylthio)-N(sup 2)-phenyl-, dihydrobromide?
The molecular formula of 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-((2-(dimethylamino)ethoxy)methyl)-N(sup 2)-methyl-5-(methylthio)-N(sup 2)-phenyl-, dihydrobromide is C25H44Br2N6OS.
What is the molecular weight of 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-((2-(dimethylamino)ethoxy)methyl)-N(sup 2)-methyl-5-(methylthio)-N(sup 2)-phenyl-, dihydrobromide?
The molecular weight of 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-((2-(dimethylamino)ethoxy)methyl)-N(sup 2)-methyl-5-(methylthio)-N(sup 2)-phenyl-, dihydrobromide is 634.17 g/mol.
Where can I buy 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-((2-(dimethylamino)ethoxy)methyl)-N(sup 2)-methyl-5-(methylthio)-N(sup 2)-phenyl-, dihydrobromide?
You can request a quote for 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-((2-(dimethylamino)ethoxy)methyl)-N(sup 2)-methyl-5-(methylthio)-N(sup 2)-phenyl-, dihydrobromide 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-((2-(dimethylamino)ethoxy)methyl)-N(sup 2)-methyl-5-(methylthio)-N(sup 2)-phenyl-, dihydrobromide?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-((2-(dimethylamino)ethoxy)methyl)-N(sup 2)-methyl-5-(methylthio)-N(sup 2)-phenyl-, dihydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.