![Ethyl 4-{[(2,4-diaminopyrimidin-5-yl)methyl]amino}benzoate structure](/static/products/2078/20781-08-2.webp)
Ethyl 4-{[(2,4-diaminopyrimidin-5-yl)methyl]amino}benzoate
TL;DR: Ethyl 4-{[(2,4-diaminopyrimidin-5-yl)methyl]amino}benzoate (CAS 20781-08-2) is a chemical compound with molecular formula C14H17N5O2 and molecular weight 287.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(2,4-diaminopyrimidin-5-yl)methylamino]benzoate
Also Known As: ethyl 4-{[(2,4-diaminopyrimidin-5-yl)methyl]amino}benzoate, ethyl 4-[(2,4-diaminopyrimidin-5-yl)methylamino]benzoate, Ethyl 4-(((2,4-diaminopyrimidin-5-yl)methyl)amino)benzoate
| Molecular Formula | C14H17N5O2 |
|---|---|
| Molecular Weight | 287.14 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 287.1382 |
| Heavy Atoms | 21 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 20781-08-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NCC2=CN=C(N=C2N)N |
| InChIKey | SOXZZGWSHCJALQ-UHFFFAOYSA-N |
Product Overview
Ethyl 4-{[(2,4-diaminopyrimidin-5-yl)methyl]amino}benzoate (CAS 20781-08-2), with molecular formula C14H17N5O2 and molecular weight 287.14 g/mol. IUPAC: ethyl 4-[(2,4-diaminopyrimidin-5-yl)methylamino]benzoate.
Chemical Property Profile of Ethyl 4-{[(2,4-diaminopyrimidin-5-yl)methyl]amino}benzoate
Property Insights of Ethyl 4-{[(2,4-diaminopyrimidin-5-yl)methyl]amino}benzoate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-{[(2,4-diaminopyrimidin-5-yl)methyl]amino}benzoate. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-{[(2,4-diaminopyrimidin-5-yl)methyl]amino}benzoate. Following Lipinski's Rule of Five, Ethyl 4-{[(2,4-diaminopyrimidin-5-yl)methyl]amino}benzoate has 3 hydrogen bond donor(s) and 7 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 Ethyl 4-{[(2,4-diaminopyrimidin-5-yl)methyl]amino}benzoate?
The CAS number of Ethyl 4-{[(2,4-diaminopyrimidin-5-yl)methyl]amino}benzoate is 20781-08-2.
What is the molecular formula of Ethyl 4-{[(2,4-diaminopyrimidin-5-yl)methyl]amino}benzoate?
The molecular formula of Ethyl 4-{[(2,4-diaminopyrimidin-5-yl)methyl]amino}benzoate is C14H17N5O2.
What is the molecular weight of Ethyl 4-{[(2,4-diaminopyrimidin-5-yl)methyl]amino}benzoate?
The molecular weight of Ethyl 4-{[(2,4-diaminopyrimidin-5-yl)methyl]amino}benzoate is 287.14 g/mol.
Where can I buy Ethyl 4-{[(2,4-diaminopyrimidin-5-yl)methyl]amino}benzoate?
You can request a quote for Ethyl 4-{[(2,4-diaminopyrimidin-5-yl)methyl]amino}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-{[(2,4-diaminopyrimidin-5-yl)methyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-{[(2,4-diaminopyrimidin-5-yl)methyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.