6-chloro-5-(4-ethoxybenzyl)-N,N-diethylpyrimidin-4-amine
TL;DR: 6-chloro-5-(4-ethoxybenzyl)-N,N-diethylpyrimidin-4-amine (CAS 845901-77-1) is a chemical compound with molecular formula C17H22ClN3O and molecular weight 319.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-5-[(4-ethoxyphenyl)methyl]-N,N-diethylpyrimidin-4-amine
Also Known As: 6-chloro-5-(4-ethoxybenzyl)-N,N-diethylpyrimidin-4-amine, 6-chloro-5-[(4-ethoxyphenyl)methyl]-N,N-diethylpyrimidin-4-amine
| Molecular Formula | C17H22ClN3O |
|---|---|
| Molecular Weight | 319.15 g/mol |
| LogP | 3.9657 |
| Topological Polar Surface Area | 38.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 319.14514 |
| Heavy Atoms | 22 |
| Complexity | 597.3531 |
Chemical Identifiers
| CAS Number | 845901-77-1 |
|---|---|
| SMILES | CCN(CC)C1=C(C(=NC=N1)Cl)CC2=CC=C(C=C2)OCC |
Product Overview
6-chloro-5-(4-ethoxybenzyl)-N,N-diethylpyrimidin-4-amine (CAS 845901-77-1), with molecular formula C17H22ClN3O and molecular weight 319.15 g/mol. IUPAC: 6-chloro-5-[(4-ethoxyphenyl)methyl]-N,N-diethylpyrimidin-4-amine.
Chemical Property Profile of 6-chloro-5-(4-ethoxybenzyl)-N,N-diethylpyrimidin-4-amine
Property Insights of 6-chloro-5-(4-ethoxybenzyl)-N,N-diethylpyrimidin-4-amine
The XLogP value of 3.9657 indicates that 6-chloro-5-(4-ethoxybenzyl)-N,N-diethylpyrimidin-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, 6-chloro-5-(4-ethoxybenzyl)-N,N-diethylpyrimidin-4-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-chloro-5-(4-ethoxybenzyl)-N,N-diethylpyrimidin-4-amine has 0 hydrogen bond donor(s) and 4 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 6-chloro-5-(4-ethoxybenzyl)-N,N-diethylpyrimidin-4-amine?
The CAS number of 6-chloro-5-(4-ethoxybenzyl)-N,N-diethylpyrimidin-4-amine is 845901-77-1.
What is the molecular formula of 6-chloro-5-(4-ethoxybenzyl)-N,N-diethylpyrimidin-4-amine?
The molecular formula of 6-chloro-5-(4-ethoxybenzyl)-N,N-diethylpyrimidin-4-amine is C17H22ClN3O.
What is the molecular weight of 6-chloro-5-(4-ethoxybenzyl)-N,N-diethylpyrimidin-4-amine?
The molecular weight of 6-chloro-5-(4-ethoxybenzyl)-N,N-diethylpyrimidin-4-amine is 319.15 g/mol.
Where can I buy 6-chloro-5-(4-ethoxybenzyl)-N,N-diethylpyrimidin-4-amine?
You can request a quote for 6-chloro-5-(4-ethoxybenzyl)-N,N-diethylpyrimidin-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-chloro-5-(4-ethoxybenzyl)-N,N-diethylpyrimidin-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 6-chloro-5-(4-ethoxybenzyl)-N,N-diethylpyrimidin-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.