4-Amino-5-(4-ethoxybenzyl)pyrimidine-2-thiol
TL;DR: 4-Amino-5-(4-ethoxybenzyl)pyrimidine-2-thiol (CAS 113458-36-9) is a chemical compound with molecular formula C13H15N3OS and molecular weight 261.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-5-[(4-ethoxyphenyl)methyl]-1H-pyrimidine-2-thione
Also Known As: 4-amino-5-(4-ethoxybenzyl)pyrimidine-2-thiol, 6-amino-5-[(4-ethoxyphenyl)methyl]-1H-pyrimidine-2-thione
| Molecular Formula | C13H15N3OS |
|---|---|
| Molecular Weight | 261.09 g/mol |
| LogP | 2.71089 |
| Topological Polar Surface Area | 63.93 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 261.0936 |
| Heavy Atoms | 18 |
| Complexity | 577.5354 |
Chemical Identifiers
| CAS Number | 113458-36-9 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)CC2=C(NC(=S)N=C2)N |
Product Overview
4-Amino-5-(4-ethoxybenzyl)pyrimidine-2-thiol (CAS 113458-36-9), with molecular formula C13H15N3OS and molecular weight 261.09 g/mol. IUPAC: 6-amino-5-[(4-ethoxyphenyl)methyl]-1H-pyrimidine-2-thione.
Chemical Property Profile of 4-Amino-5-(4-ethoxybenzyl)pyrimidine-2-thiol
Property Insights of 4-Amino-5-(4-ethoxybenzyl)pyrimidine-2-thiol
The XLogP value of 2.71089 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-5-(4-ethoxybenzyl)pyrimidine-2-thiol. The TPSA of 63.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-5-(4-ethoxybenzyl)pyrimidine-2-thiol. Following Lipinski's Rule of Five, 4-Amino-5-(4-ethoxybenzyl)pyrimidine-2-thiol has 2 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 4-Amino-5-(4-ethoxybenzyl)pyrimidine-2-thiol?
The CAS number of 4-Amino-5-(4-ethoxybenzyl)pyrimidine-2-thiol is 113458-36-9.
What is the molecular formula of 4-Amino-5-(4-ethoxybenzyl)pyrimidine-2-thiol?
The molecular formula of 4-Amino-5-(4-ethoxybenzyl)pyrimidine-2-thiol is C13H15N3OS.
What is the molecular weight of 4-Amino-5-(4-ethoxybenzyl)pyrimidine-2-thiol?
The molecular weight of 4-Amino-5-(4-ethoxybenzyl)pyrimidine-2-thiol is 261.09 g/mol.
Where can I buy 4-Amino-5-(4-ethoxybenzyl)pyrimidine-2-thiol?
You can request a quote for 4-Amino-5-(4-ethoxybenzyl)pyrimidine-2-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-5-(4-ethoxybenzyl)pyrimidine-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-5-(4-ethoxybenzyl)pyrimidine-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.