![ethyl 4-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl-(pyrazin-2-ylmethyl)amino]benzoate structure](/static/products/7639/76397-72-3.webp)
ethyl 4-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl-(pyrazin-2-ylmethyl)amino]benzoate
TL;DR: ethyl 4-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl-(pyrazin-2-ylmethyl)amino]benzoate (CAS 76397-72-3) is a chemical compound with molecular formula C19H19N5O4 and molecular weight 381.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl-(pyrazin-2-ylmethyl)amino]benzoate
Also Known As: ethyl 4-{[(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl](pyrazin-2-ylmethyl)amino}benzoate, ethyl 4-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl-(pyrazin-2-ylmethyl)amino]benzoate, ethyl 4-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl-(pyrazin-2-ylme, Ethyl 4-(((2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl)(pyrazin-2-ylmethyl)amino)benzoate, Ethyl 4-{[(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl][(pyrazin-2-yl)methyl]amino}benzoate
| Molecular Formula | C19H19N5O4 |
|---|---|
| Molecular Weight | 381.14 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 381.1437 |
| Heavy Atoms | 28 |
| Complexity | 615.0 |
Chemical Identifiers
| CAS Number | 76397-72-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N(CC2=CNC(=O)NC2=O)CC3=NC=CN=C3 |
| InChIKey | NWEJXXCHPICZHK-UHFFFAOYSA-N |
Product Overview
ethyl 4-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl-(pyrazin-2-ylmethyl)amino]benzoate (CAS 76397-72-3), with molecular formula C19H19N5O4 and molecular weight 381.14 g/mol. IUPAC: ethyl 4-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl-(pyrazin-2-ylmethyl)amino]benzoate.
Chemical Property Profile of ethyl 4-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl-(pyrazin-2-ylmethyl)amino]benzoate
Property Insights of ethyl 4-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl-(pyrazin-2-ylmethyl)amino]benzoate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl-(pyrazin-2-ylmethyl)amino]benzoate. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl-(pyrazin-2-ylmethyl)amino]benzoate. Following Lipinski's Rule of Five, ethyl 4-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl-(pyrazin-2-ylmethyl)amino]benzoate has 2 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-dioxo-1H-pyrimidin-5-yl)methyl-(pyrazin-2-ylmethyl)amino]benzoate?
The CAS number of ethyl 4-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl-(pyrazin-2-ylmethyl)amino]benzoate is 76397-72-3.
What is the molecular formula of ethyl 4-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl-(pyrazin-2-ylmethyl)amino]benzoate?
The molecular formula of ethyl 4-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl-(pyrazin-2-ylmethyl)amino]benzoate is C19H19N5O4.
What is the molecular weight of ethyl 4-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl-(pyrazin-2-ylmethyl)amino]benzoate?
The molecular weight of ethyl 4-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl-(pyrazin-2-ylmethyl)amino]benzoate is 381.14 g/mol.
Where can I buy ethyl 4-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl-(pyrazin-2-ylmethyl)amino]benzoate?
You can request a quote for ethyl 4-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl-(pyrazin-2-ylmethyl)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-dioxo-1H-pyrimidin-5-yl)methyl-(pyrazin-2-ylmethyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl-(pyrazin-2-ylmethyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.