2-((2'''-(Dimethylamino)ethyl)thio)-4-(1'-methylpyrrol-2'-yl)-6-thien-2''-ylpyrimidine hydrobromide
TL;DR: 2-((2'''-(Dimethylamino)ethyl)thio)-4-(1'-methylpyrrol-2'-yl)-6-thien-2''-ylpyrimidine hydrobromide (CAS 124959-59-7) is a chemical compound with molecular formula C17H21BrN4S2 and molecular weight 424.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-2-[4-(1-methylpyrrol-2-yl)-6-thiophen-2-ylpyrimidin-2-yl]sulfanylethanamine;hydrobromide
Also Known As: 2-((2'''-(Dimethylamino)ethyl)thio)-4-(1'-methylpyrrol-2'-yl)-6-thien-2''-ylpyrimidine hydrobromide, 2-<<2'''-(dimethylamino)ethyl>thio>-4-(1'-methylpyrol-2'-yl)-6-thien-2''-ylpyrimidine hydrobromide, 2-{[2'''-(dimethylamino)ethyl]thio}-4-(1'-methylpyrol-2'-yl)-6-thien-2''-ylpyrimidine hydrobromide, N,N-dimethyl-2-[4-(1-methylpyrrol-2-yl)-6-thiophen-2-ylpyrimidin-2-yl]sulfanylethanamine hydrobromide, N,N-dimethyl-2-[4-(1-methylpyrrol-2-yl)-6-thiophen-2-ylpyrimidin-2-yl]sulfanylethanamine;hydrobromide
| Molecular Formula | C17H21BrN4S2 |
|---|---|
| Molecular Weight | 424.04 g/mol |
| LogP | 4.4422 |
| Topological Polar Surface Area | 87.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 424.0391 |
| Heavy Atoms | 24 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 124959-59-7 |
|---|---|
| SMILES | CN1C=CC=C1C2=CC(=NC(=N2)SCCN(C)C)C3=CC=CS3.Br |
| InChIKey | IVVAQVBNBYLCCE-UHFFFAOYSA-N |
Product Overview
2-((2'''-(Dimethylamino)ethyl)thio)-4-(1'-methylpyrrol-2'-yl)-6-thien-2''-ylpyrimidine hydrobromide (CAS 124959-59-7), with molecular formula C17H21BrN4S2 and molecular weight 424.04 g/mol. IUPAC: N,N-dimethyl-2-[4-(1-methylpyrrol-2-yl)-6-thiophen-2-ylpyrimidin-2-yl]sulfanylethanamine;hydrobromide.
Chemical Property Profile of 2-((2'''-(Dimethylamino)ethyl)thio)-4-(1'-methylpyrrol-2'-yl)-6-thien-2''-ylpyrimidine hydrobromide
Property Insights of 2-((2'''-(Dimethylamino)ethyl)thio)-4-(1'-methylpyrrol-2'-yl)-6-thien-2''-ylpyrimidine hydrobromide
The XLogP value of 4.4422 indicates that 2-((2'''-(Dimethylamino)ethyl)thio)-4-(1'-methylpyrrol-2'-yl)-6-thien-2''-ylpyrimidine hydrobromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2'''-(Dimethylamino)ethyl)thio)-4-(1'-methylpyrrol-2'-yl)-6-thien-2''-ylpyrimidine hydrobromide. Following Lipinski's Rule of Five, 2-((2'''-(Dimethylamino)ethyl)thio)-4-(1'-methylpyrrol-2'-yl)-6-thien-2''-ylpyrimidine hydrobromide has 1 hydrogen bond donor(s) and 5 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-((2'''-(Dimethylamino)ethyl)thio)-4-(1'-methylpyrrol-2'-yl)-6-thien-2''-ylpyrimidine hydrobromide?
The CAS number of 2-((2'''-(Dimethylamino)ethyl)thio)-4-(1'-methylpyrrol-2'-yl)-6-thien-2''-ylpyrimidine hydrobromide is 124959-59-7.
What is the molecular formula of 2-((2'''-(Dimethylamino)ethyl)thio)-4-(1'-methylpyrrol-2'-yl)-6-thien-2''-ylpyrimidine hydrobromide?
The molecular formula of 2-((2'''-(Dimethylamino)ethyl)thio)-4-(1'-methylpyrrol-2'-yl)-6-thien-2''-ylpyrimidine hydrobromide is C17H21BrN4S2.
What is the molecular weight of 2-((2'''-(Dimethylamino)ethyl)thio)-4-(1'-methylpyrrol-2'-yl)-6-thien-2''-ylpyrimidine hydrobromide?
The molecular weight of 2-((2'''-(Dimethylamino)ethyl)thio)-4-(1'-methylpyrrol-2'-yl)-6-thien-2''-ylpyrimidine hydrobromide is 424.04 g/mol.
Where can I buy 2-((2'''-(Dimethylamino)ethyl)thio)-4-(1'-methylpyrrol-2'-yl)-6-thien-2''-ylpyrimidine hydrobromide?
You can request a quote for 2-((2'''-(Dimethylamino)ethyl)thio)-4-(1'-methylpyrrol-2'-yl)-6-thien-2''-ylpyrimidine hydrobromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((2'''-(Dimethylamino)ethyl)thio)-4-(1'-methylpyrrol-2'-yl)-6-thien-2''-ylpyrimidine hydrobromide?
Yes, KEHONG BIO provides custom synthesis services for 2-((2'''-(Dimethylamino)ethyl)thio)-4-(1'-methylpyrrol-2'-yl)-6-thien-2''-ylpyrimidine hydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.