2-Pyrimidinamine, 4-(4-butyl-1-piperazinyl)-6-chloro-N-methyl-5-(methylthio)-N-(phenylmethyl)-, monohydrochloride
TL;DR: 2-Pyrimidinamine, 4-(4-butyl-1-piperazinyl)-6-chloro-N-methyl-5-(methylthio)-N-(phenylmethyl)-, monohydrochloride (CAS 59717-64-5) is a chemical compound with molecular formula C21H31Cl2N5S and molecular weight 455.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-4-(4-butylpiperazin-1-yl)-6-chloro-N-methyl-5-methylsulfanylpyrimidin-2-amine;hydrochloride
Also Known As: 2-Pyrimidinamine, 4-(4-butyl-1-piperazinyl)-6-chloro-N-methyl-5-(methylthio)-N-(phenylmethyl)-, monohydrochloride, 2-(N-Methyl-N-benzylamino)-4-N-butylpiperazino-5-methylthio-6-chloropyrimidine hydrochloride, N-Benzyl-4-(4-butylpiperazin-1-yl)-6-chloro-N-methyl-5-(methylsulfanyl)pyrimidin-2-amine--hydrogen chloride (1/1), N-benzyl-4-(4-butylpiperazin-1-yl)-6-chloro-N-methyl-5-methylsulfanylpyrimidin-2-amine hydrochloride, RefChem:266676
| Molecular Formula | C21H31Cl2N5S |
|---|---|
| Molecular Weight | 455.17 g/mol |
| LogP | 4.8322 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 455.16772 |
| Heavy Atoms | 29 |
| Complexity | 754.2367 |
Chemical Identifiers
| CAS Number | 59717-64-5 |
|---|---|
| SMILES | CCCCN1CCN(CC1)C2=C(C(=NC(=N2)N(C)CC3=CC=CC=C3)Cl)SC.Cl |
Product Overview
2-Pyrimidinamine, 4-(4-butyl-1-piperazinyl)-6-chloro-N-methyl-5-(methylthio)-N-(phenylmethyl)-, monohydrochloride (CAS 59717-64-5), with molecular formula C21H31Cl2N5S and molecular weight 455.17 g/mol. IUPAC: N-benzyl-4-(4-butylpiperazin-1-yl)-6-chloro-N-methyl-5-methylsulfanylpyrimidin-2-amine;hydrochloride.
Chemical Property Profile of 2-Pyrimidinamine, 4-(4-butyl-1-piperazinyl)-6-chloro-N-methyl-5-(methylthio)-N-(phenylmethyl)-, monohydrochloride
Property Insights of 2-Pyrimidinamine, 4-(4-butyl-1-piperazinyl)-6-chloro-N-methyl-5-(methylthio)-N-(phenylmethyl)-, monohydrochloride
The XLogP value of 4.8322 indicates that 2-Pyrimidinamine, 4-(4-butyl-1-piperazinyl)-6-chloro-N-methyl-5-(methylthio)-N-(phenylmethyl)-, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 2-Pyrimidinamine, 4-(4-butyl-1-piperazinyl)-6-chloro-N-methyl-5-(methylthio)-N-(phenylmethyl)-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Pyrimidinamine, 4-(4-butyl-1-piperazinyl)-6-chloro-N-methyl-5-(methylthio)-N-(phenylmethyl)-, monohydrochloride has 0 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-Pyrimidinamine, 4-(4-butyl-1-piperazinyl)-6-chloro-N-methyl-5-(methylthio)-N-(phenylmethyl)-, monohydrochloride?
The CAS number of 2-Pyrimidinamine, 4-(4-butyl-1-piperazinyl)-6-chloro-N-methyl-5-(methylthio)-N-(phenylmethyl)-, monohydrochloride is 59717-64-5.
What is the molecular formula of 2-Pyrimidinamine, 4-(4-butyl-1-piperazinyl)-6-chloro-N-methyl-5-(methylthio)-N-(phenylmethyl)-, monohydrochloride?
The molecular formula of 2-Pyrimidinamine, 4-(4-butyl-1-piperazinyl)-6-chloro-N-methyl-5-(methylthio)-N-(phenylmethyl)-, monohydrochloride is C21H31Cl2N5S.
What is the molecular weight of 2-Pyrimidinamine, 4-(4-butyl-1-piperazinyl)-6-chloro-N-methyl-5-(methylthio)-N-(phenylmethyl)-, monohydrochloride?
The molecular weight of 2-Pyrimidinamine, 4-(4-butyl-1-piperazinyl)-6-chloro-N-methyl-5-(methylthio)-N-(phenylmethyl)-, monohydrochloride is 455.17 g/mol.
Where can I buy 2-Pyrimidinamine, 4-(4-butyl-1-piperazinyl)-6-chloro-N-methyl-5-(methylthio)-N-(phenylmethyl)-, monohydrochloride?
You can request a quote for 2-Pyrimidinamine, 4-(4-butyl-1-piperazinyl)-6-chloro-N-methyl-5-(methylthio)-N-(phenylmethyl)-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Pyrimidinamine, 4-(4-butyl-1-piperazinyl)-6-chloro-N-methyl-5-(methylthio)-N-(phenylmethyl)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2-Pyrimidinamine, 4-(4-butyl-1-piperazinyl)-6-chloro-N-methyl-5-(methylthio)-N-(phenylmethyl)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.