5-(4-butoxybenzyl)-6-chloro-N,N-dimethyl-2-(methylsulfanyl)pyrimidin-4-amine
TL;DR: 5-(4-butoxybenzyl)-6-chloro-N,N-dimethyl-2-(methylsulfanyl)pyrimidin-4-amine (CAS 23994-45-8) is a chemical compound with molecular formula C18H24ClN3OS and molecular weight 365.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-butoxyphenyl)methyl]-6-chloro-N,N-dimethyl-2-methylsulfanylpyrimidin-4-amine
Also Known As: BAS 01579194, 5-(4-butoxybenzyl)-6-chloro-N,N-dimethyl-2-(methylthio)pyrimidin-4-amine, [5-(4-Butoxy-benzyl)-6-chloro-2-methylsulfanyl-pyrimidin-4-yl]-dimethyl-amine, 5-(4-butoxybenzyl)-6-chloro-N,N-dimethyl-2-(methylsulfanyl)pyrimidin-4-amine, 5-[(4-butoxyphenyl)methyl]-6-chloro-N,N-dimethyl-2-methylsulfanylpyrimidin-4-amine
| Molecular Formula | C18H24ClN3OS |
|---|---|
| Molecular Weight | 365.13 g/mol |
| LogP | 4.6876 |
| Topological Polar Surface Area | 38.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 365.13287 |
| Heavy Atoms | 24 |
| Complexity | 662.0586 |
Chemical Identifiers
| CAS Number | 23994-45-8 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)CC2=C(N=C(N=C2Cl)SC)N(C)C |
Product Overview
5-(4-butoxybenzyl)-6-chloro-N,N-dimethyl-2-(methylsulfanyl)pyrimidin-4-amine (CAS 23994-45-8), with molecular formula C18H24ClN3OS and molecular weight 365.13 g/mol. IUPAC: 5-[(4-butoxyphenyl)methyl]-6-chloro-N,N-dimethyl-2-methylsulfanylpyrimidin-4-amine.
Chemical Property Profile of 5-(4-butoxybenzyl)-6-chloro-N,N-dimethyl-2-(methylsulfanyl)pyrimidin-4-amine
Property Insights of 5-(4-butoxybenzyl)-6-chloro-N,N-dimethyl-2-(methylsulfanyl)pyrimidin-4-amine
The XLogP value of 4.6876 indicates that 5-(4-butoxybenzyl)-6-chloro-N,N-dimethyl-2-(methylsulfanyl)pyrimidin-4-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.25 Ų, 5-(4-butoxybenzyl)-6-chloro-N,N-dimethyl-2-(methylsulfanyl)pyrimidin-4-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-butoxybenzyl)-6-chloro-N,N-dimethyl-2-(methylsulfanyl)pyrimidin-4-amine has 0 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 5-(4-butoxybenzyl)-6-chloro-N,N-dimethyl-2-(methylsulfanyl)pyrimidin-4-amine?
The CAS number of 5-(4-butoxybenzyl)-6-chloro-N,N-dimethyl-2-(methylsulfanyl)pyrimidin-4-amine is 23994-45-8.
What is the molecular formula of 5-(4-butoxybenzyl)-6-chloro-N,N-dimethyl-2-(methylsulfanyl)pyrimidin-4-amine?
The molecular formula of 5-(4-butoxybenzyl)-6-chloro-N,N-dimethyl-2-(methylsulfanyl)pyrimidin-4-amine is C18H24ClN3OS.
What is the molecular weight of 5-(4-butoxybenzyl)-6-chloro-N,N-dimethyl-2-(methylsulfanyl)pyrimidin-4-amine?
The molecular weight of 5-(4-butoxybenzyl)-6-chloro-N,N-dimethyl-2-(methylsulfanyl)pyrimidin-4-amine is 365.13 g/mol.
Where can I buy 5-(4-butoxybenzyl)-6-chloro-N,N-dimethyl-2-(methylsulfanyl)pyrimidin-4-amine?
You can request a quote for 5-(4-butoxybenzyl)-6-chloro-N,N-dimethyl-2-(methylsulfanyl)pyrimidin-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-butoxybenzyl)-6-chloro-N,N-dimethyl-2-(methylsulfanyl)pyrimidin-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-butoxybenzyl)-6-chloro-N,N-dimethyl-2-(methylsulfanyl)pyrimidin-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.