4-(4-Amino-2-methoxy-6-oxopyrimidin-1-yl)butanenitrile
TL;DR: 4-(4-Amino-2-methoxy-6-oxopyrimidin-1-yl)butanenitrile (CAS 478920-82-0) is a chemical compound with molecular formula C9H12N4O2 and molecular weight 208.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-amino-2-methoxy-6-oxopyrimidin-1-yl)butanenitrile
Also Known As: 1(6H)-Pyrimidinebutanenitrile, 4-amino-2-methoxy-6-oxo-, 4-(4-amino-2-methoxy-6-oxo-pyrimidin-1-yl)butanenitrile
| Molecular Formula | C9H12N4O2 |
|---|---|
| Molecular Weight | 208.10 g/mol |
| LogP | 0.13788 |
| Topological Polar Surface Area | 93.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 208.09602 |
| Heavy Atoms | 15 |
| Complexity | 432.71896 |
Chemical Identifiers
| CAS Number | 478920-82-0 |
|---|---|
| SMILES | COC1=NC(=CC(=O)N1CCCC#N)N |
Product Overview
4-(4-Amino-2-methoxy-6-oxopyrimidin-1-yl)butanenitrile (CAS 478920-82-0), with molecular formula C9H12N4O2 and molecular weight 208.10 g/mol. IUPAC: 4-(4-amino-2-methoxy-6-oxopyrimidin-1-yl)butanenitrile.
Chemical Property Profile of 4-(4-Amino-2-methoxy-6-oxopyrimidin-1-yl)butanenitrile
Property Insights of 4-(4-Amino-2-methoxy-6-oxopyrimidin-1-yl)butanenitrile
The XLogP value of 0.13788 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Amino-2-methoxy-6-oxopyrimidin-1-yl)butanenitrile. The TPSA of 93.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Amino-2-methoxy-6-oxopyrimidin-1-yl)butanenitrile. Following Lipinski's Rule of Five, 4-(4-Amino-2-methoxy-6-oxopyrimidin-1-yl)butanenitrile has 1 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 4-(4-Amino-2-methoxy-6-oxopyrimidin-1-yl)butanenitrile?
The CAS number of 4-(4-Amino-2-methoxy-6-oxopyrimidin-1-yl)butanenitrile is 478920-82-0.
What is the molecular formula of 4-(4-Amino-2-methoxy-6-oxopyrimidin-1-yl)butanenitrile?
The molecular formula of 4-(4-Amino-2-methoxy-6-oxopyrimidin-1-yl)butanenitrile is C9H12N4O2.
What is the molecular weight of 4-(4-Amino-2-methoxy-6-oxopyrimidin-1-yl)butanenitrile?
The molecular weight of 4-(4-Amino-2-methoxy-6-oxopyrimidin-1-yl)butanenitrile is 208.10 g/mol.
Where can I buy 4-(4-Amino-2-methoxy-6-oxopyrimidin-1-yl)butanenitrile?
You can request a quote for 4-(4-Amino-2-methoxy-6-oxopyrimidin-1-yl)butanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Amino-2-methoxy-6-oxopyrimidin-1-yl)butanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Amino-2-methoxy-6-oxopyrimidin-1-yl)butanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.