{5-Nitro-2,6-dimethoxy-4-pyrimidinyl}acetonitrile
TL;DR: {5-Nitro-2,6-dimethoxy-4-pyrimidinyl}acetonitrile (CAS 84538-44-3) is a chemical compound with molecular formula C8H8N4O4 and molecular weight 224.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,6-dimethoxy-5-nitropyrimidin-4-yl)acetonitrile
Also Known As: {5-Nitro-2,6-dimethoxy-4-pyrimidinyl}, {5-nitro-2,6-dimethoxy-4-pyrimidinyl}acetonitrile, 4-pyrimidineacetonitrile, 2,6-dimethoxy-5-nitro-, 2-(2,6-dimethoxy-5-nitropyrimidin-4-yl)acetonitrile, AE-848/32000022
| Molecular Formula | C8H8N4O4 |
|---|---|
| Molecular Weight | 224.05 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.05455 |
| Heavy Atoms | 16 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 84538-44-3 |
|---|---|
| SMILES | COC1=NC(=NC(=C1[N+](=O)[O-])CC#N)OC |
| InChIKey | NNFMYEGPZZVVKI-UHFFFAOYSA-N |
Product Overview
{5-Nitro-2,6-dimethoxy-4-pyrimidinyl}acetonitrile (CAS 84538-44-3), with molecular formula C8H8N4O4 and molecular weight 224.05 g/mol. IUPAC: 2-(2,6-dimethoxy-5-nitropyrimidin-4-yl)acetonitrile.
Chemical Property Profile of {5-Nitro-2,6-dimethoxy-4-pyrimidinyl}acetonitrile
Property Insights of {5-Nitro-2,6-dimethoxy-4-pyrimidinyl}acetonitrile
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for {5-Nitro-2,6-dimethoxy-4-pyrimidinyl}acetonitrile. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for {5-Nitro-2,6-dimethoxy-4-pyrimidinyl}acetonitrile. Following Lipinski's Rule of Five, {5-Nitro-2,6-dimethoxy-4-pyrimidinyl}acetonitrile has 0 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 {5-Nitro-2,6-dimethoxy-4-pyrimidinyl}acetonitrile?
The CAS number of {5-Nitro-2,6-dimethoxy-4-pyrimidinyl}acetonitrile is 84538-44-3.
What is the molecular formula of {5-Nitro-2,6-dimethoxy-4-pyrimidinyl}acetonitrile?
The molecular formula of {5-Nitro-2,6-dimethoxy-4-pyrimidinyl}acetonitrile is C8H8N4O4.
What is the molecular weight of {5-Nitro-2,6-dimethoxy-4-pyrimidinyl}acetonitrile?
The molecular weight of {5-Nitro-2,6-dimethoxy-4-pyrimidinyl}acetonitrile is 224.05 g/mol.
Where can I buy {5-Nitro-2,6-dimethoxy-4-pyrimidinyl}acetonitrile?
You can request a quote for {5-Nitro-2,6-dimethoxy-4-pyrimidinyl}acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {5-Nitro-2,6-dimethoxy-4-pyrimidinyl}acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for {5-Nitro-2,6-dimethoxy-4-pyrimidinyl}acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.