2-chloro-N-(4-fluorophenyl)-6-methyl-5-nitropyrimidin-4-amine
TL;DR: 2-chloro-N-(4-fluorophenyl)-6-methyl-5-nitropyrimidin-4-amine (CAS 841-80-5) is a chemical compound with molecular formula C11H8ClFN4O2 and molecular weight 282.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-(4-fluorophenyl)-6-methyl-5-nitropyrimidin-4-amine
Also Known As: 2-chloro-N-(4-fluorophenyl)-6-methyl-5-nitropyrimidin-4-amine, 2-chloro-N-(4-fluorophenyl)-6-methyl-5-nitro-pyrimidin-4-amine, (2-chloro-6-methyl-5-nitro-pyrimidin-4-yl)-(4-fluoro-phenyl)-amine
| Molecular Formula | C11H8ClFN4O2 |
|---|---|
| Molecular Weight | 282.03 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 282.03198 |
| Heavy Atoms | 19 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 841-80-5 |
|---|---|
| SMILES | CC1=C(C(=NC(=N1)Cl)NC2=CC=C(C=C2)F)[N+](=O)[O-] |
| InChIKey | NRWPVMYEYDWRIM-UHFFFAOYSA-N |
Product Overview
2-chloro-N-(4-fluorophenyl)-6-methyl-5-nitropyrimidin-4-amine (CAS 841-80-5), with molecular formula C11H8ClFN4O2 and molecular weight 282.03 g/mol. IUPAC: 2-chloro-N-(4-fluorophenyl)-6-methyl-5-nitropyrimidin-4-amine.
Chemical Property Profile of 2-chloro-N-(4-fluorophenyl)-6-methyl-5-nitropyrimidin-4-amine
Property Insights of 2-chloro-N-(4-fluorophenyl)-6-methyl-5-nitropyrimidin-4-amine
The XLogP value of 3.9 indicates that 2-chloro-N-(4-fluorophenyl)-6-methyl-5-nitropyrimidin-4-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-chloro-N-(4-fluorophenyl)-6-methyl-5-nitropyrimidin-4-amine. Following Lipinski's Rule of Five, 2-chloro-N-(4-fluorophenyl)-6-methyl-5-nitropyrimidin-4-amine has 1 hydrogen bond donor(s) and 6 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 2-chloro-N-(4-fluorophenyl)-6-methyl-5-nitropyrimidin-4-amine?
The CAS number of 2-chloro-N-(4-fluorophenyl)-6-methyl-5-nitropyrimidin-4-amine is 841-80-5.
What is the molecular formula of 2-chloro-N-(4-fluorophenyl)-6-methyl-5-nitropyrimidin-4-amine?
The molecular formula of 2-chloro-N-(4-fluorophenyl)-6-methyl-5-nitropyrimidin-4-amine is C11H8ClFN4O2.
What is the molecular weight of 2-chloro-N-(4-fluorophenyl)-6-methyl-5-nitropyrimidin-4-amine?
The molecular weight of 2-chloro-N-(4-fluorophenyl)-6-methyl-5-nitropyrimidin-4-amine is 282.03 g/mol.
Where can I buy 2-chloro-N-(4-fluorophenyl)-6-methyl-5-nitropyrimidin-4-amine?
You can request a quote for 2-chloro-N-(4-fluorophenyl)-6-methyl-5-nitropyrimidin-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-N-(4-fluorophenyl)-6-methyl-5-nitropyrimidin-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N-(4-fluorophenyl)-6-methyl-5-nitropyrimidin-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.