4(1H)-Pyrimidinone, 2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-5-(4-pyridinylmethyl)-, trihydrochloride
TL;DR: 4(1H)-Pyrimidinone, 2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-5-(4-pyridinylmethyl)-, trihydrochloride (CAS 64107-42-2) is a chemical compound with molecular formula C17H23Cl3N6OS and molecular weight 464.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-5-(pyridin-4-ylmethyl)-1H-pyrimidin-6-one;trihydrochloride
Also Known As: 4(1H)-Pyrimidinone, 2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-5-(4-pyridinylmethyl)-, trihydrochloride, 2-[(2-{[(5-Methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)amino]-5-[(pyridin-4-yl)methyl]pyrimidin-4(3H)-one--hydrogen chloride (1/3), 2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-5-(pyridin-4-ylmethyl)-1H-pyrimidin-6-one trihydrochloride, RefChem:283572
| Molecular Formula | C17H23Cl3N6OS |
|---|---|
| Molecular Weight | 464.07 g/mol |
| LogP | 3.39792 |
| Topological Polar Surface Area | 99.35 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 464.07196 |
| Heavy Atoms | 28 |
| Complexity | 874.5842 |
Chemical Identifiers
| CAS Number | 64107-42-2 |
|---|---|
| SMILES | CC1=C(N=CN1)CSCCNC2=NC=C(C(=O)N2)CC3=CC=NC=C3.Cl.Cl.Cl |
Product Overview
4(1H)-Pyrimidinone, 2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-5-(4-pyridinylmethyl)-, trihydrochloride (CAS 64107-42-2), with molecular formula C17H23Cl3N6OS and molecular weight 464.07 g/mol. IUPAC: 2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-5-(pyridin-4-ylmethyl)-1H-pyrimidin-6-one;trihydrochloride.
Chemical Property Profile of 4(1H)-Pyrimidinone, 2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-5-(4-pyridinylmethyl)-, trihydrochloride
Property Insights of 4(1H)-Pyrimidinone, 2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-5-(4-pyridinylmethyl)-, trihydrochloride
The XLogP value of 3.39792 indicates that 4(1H)-Pyrimidinone, 2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-5-(4-pyridinylmethyl)-, trihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 4(1H)-Pyrimidinone, 2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-5-(4-pyridinylmethyl)-, trihydrochloride. Following Lipinski's Rule of Five, 4(1H)-Pyrimidinone, 2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-5-(4-pyridinylmethyl)-, trihydrochloride has 3 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 4(1H)-Pyrimidinone, 2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-5-(4-pyridinylmethyl)-, trihydrochloride?
The CAS number of 4(1H)-Pyrimidinone, 2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-5-(4-pyridinylmethyl)-, trihydrochloride is 64107-42-2.
What is the molecular formula of 4(1H)-Pyrimidinone, 2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-5-(4-pyridinylmethyl)-, trihydrochloride?
The molecular formula of 4(1H)-Pyrimidinone, 2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-5-(4-pyridinylmethyl)-, trihydrochloride is C17H23Cl3N6OS.
What is the molecular weight of 4(1H)-Pyrimidinone, 2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-5-(4-pyridinylmethyl)-, trihydrochloride?
The molecular weight of 4(1H)-Pyrimidinone, 2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-5-(4-pyridinylmethyl)-, trihydrochloride is 464.07 g/mol.
Where can I buy 4(1H)-Pyrimidinone, 2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-5-(4-pyridinylmethyl)-, trihydrochloride?
You can request a quote for 4(1H)-Pyrimidinone, 2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-5-(4-pyridinylmethyl)-, trihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4(1H)-Pyrimidinone, 2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-5-(4-pyridinylmethyl)-, trihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 4(1H)-Pyrimidinone, 2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-5-(4-pyridinylmethyl)-, trihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.