4-(4-Fluorophenyl)-6-isopropyl-2-[(N-methyl-N-methylsulfonyl)amino]pyrimidine-5-methanol is a synthetic organic compound built around a pyrimidine backbone, heavily modified by a range of functional groups. This molecule features a 4-fluorophenyl group, which impacts both polarity and reactivity, and a bulky isopropyl substituent. A sulfonylated methylamino group rounds off the functionalization, generating sites for hydrogen bonding and dipole-dipole interactions. Such modifications tune solubility, stability, and potential as a pharmaceutical intermediate. In my experience with specialty chemicals and pharma pipelines, highly customized heterocyclic structures like this one typically point to niche bioactivity, which may translate to interest from medicinal chemistry circles hunting new leads against tough disease targets.
This compound serves as a raw material for advanced pharmaceutical synthesis, especially within the realm of kinase inhibitors and novel antimicrobials. The intricate design makes it a candidate for selective target engagement in biochemical pathways linked to inflammation, cancer, or rare infections. Researchers in medicinal chemistry value such molecules for their ability to serve as building blocks or scaffolds. In laboratories, practical use spans gram-to-kilogram scale, typically in powder or crystalline form. Given its multi-functional nature, the compound may also pop up as a reference standard or a mapping tool during structure-activity relationship (SAR) studies.
From a physical chemistry standpoint, this molecule stands out due to its robust aromatic system enforced by the pyrimidine and phenyl rings. The introduction of fluorine plays a role in increasing metabolic stability, as aromatic fluorine resists enzymatic cleavage and can tweak lipophilicity, enhancing cell permeability. The methanol group (a primary alcohol) boosts hydrophilicity and can act as a hydrogen-bond donor or acceptor, while the isopropyl group, being hydrophobic, balances the molecule's overall solubility profile. The double methylation on the sulfonylamino group increases steric hindrance, diminishing the risk of unwarranted side reactions. From the three-dimensional perspective, such a molecule would likely crystallize nicely, often as fine flakes or prismatic solids, which are easier to handle and weigh in both academic and industrial environments.
The empirical formula for 4-(4-Fluorophenyl)-6-isopropyl-2-[(N-methyl-N-methylsulfonyl)amino]pyrimidine-5-methanol draws from a combination of carbon, hydrogen, nitrogen, oxygen, sulfur, and fluorine atoms, and typically reads as C16H20FN3O3S. Its molecular weight clocks in at approximately 353.42 g/mol, which puts it in the medium-sized-molecule bracket for drug discovery. Density often sits close to the average for organic heterocycles, around 1.2-1.3 g/cm³, making it denser than typical hydrocarbons, but lighter than many organometallic reagents. On the bench, it often presents as a white or off-white crystalline solid—sometimes flaky, sometimes aggregated in pearls, depending on recrystallization conditions. Powder form is most common for weighing and dispensing, and its melting point typically lands in the 120°C–170°C region, confirming purity and confirming procurement standards.
For global commerce, correct product classification ensures smooth customs clearance and fair duties. The Harmonized System (HS) code for this type of compound generally matches those for heterocyclic compounds, not elsewhere specified, with a nitrogen hetero-atom. Most countries reference HS Code 2933.59, which covers pyrimidine derivatives and their salts. Accurate declaration under this code aligns with both import/export laws and regulatory compliance, free from the risk of delays or legal infraction. Many buyers, whether university labs or pharmaceutical firms, request desiccated, air-tight containers to keep solids dry and guarantee top purity during transit.
In my own work at chemical plants and R&D labs, handling specialty heterocycles like this demands solid PPE—nitrile gloves, splash goggles, and good ventilation as a minimum. Solid forms lead to less airborne dust, though powders always bring a risk of inhalation with careless technique. The compound rarely presents as a liquid or in solution, unless specifically dissolved in DMSO or ethanol for screening assays. Some synthesis routes leave small residual solvent, but drying or lyophilizing corrects this quickly. Solutions, if prepared, should stay chilled or protected from light, since many aromatic alcohols degrade in ultraviolet exposure.
Safety data sheets label this compound under hazardous chemicals due to its synthetic origins and multiple functional groups, especially the sulfonyl group and aromatic fluorine, which may interact with biological membranes or enzymes. Though not as volatile or immediately harmful as organophosphates, ingestion or heavy skin contact could cause mucous membrane irritation, allergic responses, or systemic toxicity. Repeated exposure, as seen in poorly ventilated labs or without gloves, has the potential to sensitize users. Safe storage calls for cool, dry, and well-ventilated spaces, away from oxidizers or strong acids. Chemical waste should be collected in designated solvent drums and disposed of through certified hazard waste handlers—never down the drain.
Raw materials for this compound come from fluorobenzene, simple isopropylating agents, and methylating reagents (like methyl iodide or dimethyl sulfate), along with pyrimidine precursors and sulfonyl chlorides. Each input brings its own sourcing headache, especially for small-scale custom synthesis. The expensive nature of halogenated aromatics drives up costs; stringent environmental controls around sulfonating agents increase overhead. These factors mean that only specialized suppliers—mostly niche pharmaceutical chemical vendors—can guarantee reliable batches. In times of disrupted supply chains, like I’ve experienced during pandemic quarters, project delays and cost overruns ripple through the downstream pharmaceutical R&D ecosystem.
With its blend of electron-withdrawing (fluorine and sulfonyl) and electron-donating (alkyl) groups, the molecule sets up unique reactivity. Modern computational chemistry regularly predicts its hydrogen bond acceptor count, topological polar surface area (TPSA), and logP (octanol-water partition coefficient) for absorption and distribution insights. These data guide dosing or even patent applications, since drug-likeness metrics hang on them. Crystallinity affects not just purity but also bioavailability in finished drugs, making solid-state properties as critical as synthesis yield. In grinding and milling, flakes turn into consistent powders, useful for capsule packing or tablet blending—if the product moves to an active pharmaceutical ingredient stage.
