Pyrimidine, 6-(allyloxy)-2-(methylamino)-4-(4-methyl-1-piperazinyl)-5-(methylthio)-, monohydrochloride
TL;DR: Pyrimidine, 6-(allyloxy)-2-(methylamino)-4-(4-methyl-1-piperazinyl)-5-(methylthio)-, monohydrochloride (CAS 55477-42-4) is a chemical compound with molecular formula C14H24ClN5OS and molecular weight 345.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-4-(4-methylpiperazin-1-yl)-5-methylsulfanyl-6-prop-2-enoxypyrimidin-2-amine;hydrochloride
Also Known As: Pyrimidine, 6-(allyloxy)-2-(methylamino)-4-(4-methyl-1-piperazinyl)-5-(methylthio)-, monohydrochloride, 6-(Allyloxy)-2-(methylamino)-4-(4-methyl-1-piperazinyl)-5-(methylthio)pyrimidine hydrochloride, N-Methyl-4-(4-methylpiperazin-1-yl)-5-(methylsulfanyl)-6-[(prop-2-en-1-yl)oxy]pyrimidin-2-amine--hydrogen chloride (1/1), N-methyl-4-(4-methylpiperazin-1-yl)-5-methylsulfanyl-6-prop-2-enoxypyrimidin-2-amine hydrochloride, RefChem:377674
| Molecular Formula | C14H24ClN5OS |
|---|---|
| Molecular Weight | 345.14 g/mol |
| LogP | 1.9786 |
| Topological Polar Surface Area | 53.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 345.139 |
| Heavy Atoms | 22 |
| Complexity | 494.3667 |
Chemical Identifiers
| CAS Number | 55477-42-4 |
|---|---|
| SMILES | CNC1=NC(=C(C(=N1)OCC=C)SC)N2CCN(CC2)C.Cl |
Product Overview
Pyrimidine, 6-(allyloxy)-2-(methylamino)-4-(4-methyl-1-piperazinyl)-5-(methylthio)-, monohydrochloride (CAS 55477-42-4), with molecular formula C14H24ClN5OS and molecular weight 345.14 g/mol. IUPAC: N-methyl-4-(4-methylpiperazin-1-yl)-5-methylsulfanyl-6-prop-2-enoxypyrimidin-2-amine;hydrochloride.
Chemical Property Profile of Pyrimidine, 6-(allyloxy)-2-(methylamino)-4-(4-methyl-1-piperazinyl)-5-(methylthio)-, monohydrochloride
Property Insights of Pyrimidine, 6-(allyloxy)-2-(methylamino)-4-(4-methyl-1-piperazinyl)-5-(methylthio)-, monohydrochloride
The XLogP value of 1.9786 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrimidine, 6-(allyloxy)-2-(methylamino)-4-(4-methyl-1-piperazinyl)-5-(methylthio)-, monohydrochloride. With a topological polar surface area (TPSA) of 53.52 Ų, Pyrimidine, 6-(allyloxy)-2-(methylamino)-4-(4-methyl-1-piperazinyl)-5-(methylthio)-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrimidine, 6-(allyloxy)-2-(methylamino)-4-(4-methyl-1-piperazinyl)-5-(methylthio)-, monohydrochloride has 1 hydrogen bond donor(s) and 7 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 Pyrimidine, 6-(allyloxy)-2-(methylamino)-4-(4-methyl-1-piperazinyl)-5-(methylthio)-, monohydrochloride?
The CAS number of Pyrimidine, 6-(allyloxy)-2-(methylamino)-4-(4-methyl-1-piperazinyl)-5-(methylthio)-, monohydrochloride is 55477-42-4.
What is the molecular formula of Pyrimidine, 6-(allyloxy)-2-(methylamino)-4-(4-methyl-1-piperazinyl)-5-(methylthio)-, monohydrochloride?
The molecular formula of Pyrimidine, 6-(allyloxy)-2-(methylamino)-4-(4-methyl-1-piperazinyl)-5-(methylthio)-, monohydrochloride is C14H24ClN5OS.
What is the molecular weight of Pyrimidine, 6-(allyloxy)-2-(methylamino)-4-(4-methyl-1-piperazinyl)-5-(methylthio)-, monohydrochloride?
The molecular weight of Pyrimidine, 6-(allyloxy)-2-(methylamino)-4-(4-methyl-1-piperazinyl)-5-(methylthio)-, monohydrochloride is 345.14 g/mol.
Where can I buy Pyrimidine, 6-(allyloxy)-2-(methylamino)-4-(4-methyl-1-piperazinyl)-5-(methylthio)-, monohydrochloride?
You can request a quote for Pyrimidine, 6-(allyloxy)-2-(methylamino)-4-(4-methyl-1-piperazinyl)-5-(methylthio)-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrimidine, 6-(allyloxy)-2-(methylamino)-4-(4-methyl-1-piperazinyl)-5-(methylthio)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Pyrimidine, 6-(allyloxy)-2-(methylamino)-4-(4-methyl-1-piperazinyl)-5-(methylthio)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.