5-(4-Ethoxybenzyl)pyrimidine-2,4-diamine
TL;DR: 5-(4-Ethoxybenzyl)pyrimidine-2,4-diamine (CAS 113458-60-9) is a chemical compound with molecular formula C13H16N4O and molecular weight 244.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-ethoxyphenyl)methyl]pyrimidine-2,4-diamine
Also Known As: 5-(4-ethoxybenzyl)pyrimidine-2,4-diamine, 5-(4-ethoxybenzyl)-2,4-pyrimidinediamine, 5-(4-Ethoxy-benzyl)-pyrimidine-2,4-diamine, 5-[(4-ethoxyphenyl)methyl]pyrimidine-2,4-diamine, J1.206.745C
| Molecular Formula | C13H16N4O |
|---|---|
| Molecular Weight | 244.13 g/mol |
| LogP | 1.6305 |
| Topological Polar Surface Area | 87.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 244.13242 |
| Heavy Atoms | 18 |
| Complexity | 525.01447 |
Chemical Identifiers
| CAS Number | 113458-60-9 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)CC2=CN=C(N=C2N)N |
Product Overview
5-(4-Ethoxybenzyl)pyrimidine-2,4-diamine (CAS 113458-60-9), with molecular formula C13H16N4O and molecular weight 244.13 g/mol. IUPAC: 5-[(4-ethoxyphenyl)methyl]pyrimidine-2,4-diamine.
Chemical Property Profile of 5-(4-Ethoxybenzyl)pyrimidine-2,4-diamine
Property Insights of 5-(4-Ethoxybenzyl)pyrimidine-2,4-diamine
The XLogP value of 1.6305 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-Ethoxybenzyl)pyrimidine-2,4-diamine. The TPSA of 87.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-Ethoxybenzyl)pyrimidine-2,4-diamine. Following Lipinski's Rule of Five, 5-(4-Ethoxybenzyl)pyrimidine-2,4-diamine has 2 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-Ethoxybenzyl)pyrimidine-2,4-diamine?
The CAS number of 5-(4-Ethoxybenzyl)pyrimidine-2,4-diamine is 113458-60-9.
What is the molecular formula of 5-(4-Ethoxybenzyl)pyrimidine-2,4-diamine?
The molecular formula of 5-(4-Ethoxybenzyl)pyrimidine-2,4-diamine is C13H16N4O.
What is the molecular weight of 5-(4-Ethoxybenzyl)pyrimidine-2,4-diamine?
The molecular weight of 5-(4-Ethoxybenzyl)pyrimidine-2,4-diamine is 244.13 g/mol.
Where can I buy 5-(4-Ethoxybenzyl)pyrimidine-2,4-diamine?
You can request a quote for 5-(4-Ethoxybenzyl)pyrimidine-2,4-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Ethoxybenzyl)pyrimidine-2,4-diamine?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Ethoxybenzyl)pyrimidine-2,4-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.