2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-chloro-N(sup 2),N(sup 2)-diethyl-5-(methylthio)-, monohydrobromide
TL;DR: 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-chloro-N(sup 2),N(sup 2)-diethyl-5-(methylthio)-, monohydrobromide (CAS 55417-05-5) is a chemical compound with molecular formula C17H33BrClN5S and molecular weight 453.13 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,2-N-diethyl-5-methylsulfanylpyrimidine-2,4-diamine;hydrobromide
Also Known As: 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-chloro-N(sup 2),N(sup 2)-diethyl-5-(methylthio)-, monohydrobromide, 2-Diethylamino-4-(2'-diisopropylamino)ethylamino-5-methylthio-6-chloropyrimidine hydrobromide, 6-chloro-4-N-[2-[di(propan-2-yl)amino]ethyl]-2-N,2-N-diethyl-5-methylsulfanylpyrimidine-2,4-diamine hydrobromide, 6-Chloro-N~4~-{2-[di(propan-2-yl)amino]ethyl}-N~2~,N~2~-diethyl-5-(methylsulfanyl)pyrimidine-2,4-diamine--hydrogen bromide (1/1), RefChem:246939
| Molecular Formula | C17H33BrClN5S |
|---|---|
| Molecular Weight | 453.13 g/mol |
| LogP | 4.8067 |
| Topological Polar Surface Area | 44.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 453.13287 |
| Heavy Atoms | 25 |
| Complexity | 504.05673 |
Chemical Identifiers
| CAS Number | 55417-05-5 |
|---|---|
| SMILES | CCN(CC)C1=NC(=C(C(=N1)Cl)SC)NCCN(C(C)C)C(C)C.Br |
Product Overview
2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-chloro-N(sup 2),N(sup 2)-diethyl-5-(methylthio)-, monohydrobromide (CAS 55417-05-5), with molecular formula C17H33BrClN5S and molecular weight 453.13 g/mol. IUPAC: 6-chloro-4-N-[2-[di(propan-2-yl)amino]ethyl]-2-N,2-N-diethyl-5-methylsulfanylpyrimidine-2,4-diamine;hydrobromide.
Chemical Property Profile of 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-chloro-N(sup 2),N(sup 2)-diethyl-5-(methylthio)-, monohydrobromide
Property Insights of 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-chloro-N(sup 2),N(sup 2)-diethyl-5-(methylthio)-, monohydrobromide
The XLogP value of 4.8067 indicates that 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-chloro-N(sup 2),N(sup 2)-diethyl-5-(methylthio)-, monohydrobromide 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),N(sup 2)-diethyl-5-(methylthio)-, monohydrobromide 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),N(sup 2)-diethyl-5-(methylthio)-, monohydrobromide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
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),N(sup 2)-diethyl-5-(methylthio)-, monohydrobromide?
The CAS number of 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-chloro-N(sup 2),N(sup 2)-diethyl-5-(methylthio)-, monohydrobromide is 55417-05-5.
What is the molecular formula of 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-chloro-N(sup 2),N(sup 2)-diethyl-5-(methylthio)-, monohydrobromide?
The molecular formula of 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-chloro-N(sup 2),N(sup 2)-diethyl-5-(methylthio)-, monohydrobromide is C17H33BrClN5S.
What is the molecular weight of 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-chloro-N(sup 2),N(sup 2)-diethyl-5-(methylthio)-, monohydrobromide?
The molecular weight of 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-chloro-N(sup 2),N(sup 2)-diethyl-5-(methylthio)-, monohydrobromide is 453.13 g/mol.
Where can I buy 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-chloro-N(sup 2),N(sup 2)-diethyl-5-(methylthio)-, monohydrobromide?
You can request a quote for 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-chloro-N(sup 2),N(sup 2)-diethyl-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, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-chloro-N(sup 2),N(sup 2)-diethyl-5-(methylthio)-, monohydrobromide?
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),N(sup 2)-diethyl-5-(methylthio)-, monohydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.