for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC(C)(C)NC(=O)NC1=CC=CC(=C1)NC2=NC=C(C(=N2)NC(C)(C)CO)F |
|---|---|
| IUPAC Name | 1-tert-butyl-3-[3-[[5-fluoro-4-[(1-hydroxy-2-methylpropan-2-yl)amino]pyrimidin-2-yl]amino]phenyl]urea |
| InChIKey | DYNMZYFOSRSMAC-UHFFFAOYSA-N |
| INCHI | 1S/C19H27FN6O2/c1-18(2,3)26-17(28)23-13-8-6-7-12(9-13)22-16-21-10-14(20)15(24-16)25-19(4,5)11-27/h6-10,27H,11H2,1-5H3,(H2,23,26,28)(H2,21,22,24,25) |
| Isomeric SMILES | CC(C)(C)NC(=O)NC1=CC=CC(=C1)NC2=NC=C(C(=N2)NC(C)(C)CO)F |
| PubChem CID | 73265273 |
| Molecular Weight | 390.46 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | N-phenylureas |
| Intermediate Tree Nodes | Not available |
| Direct Parent | N-phenylureas |
| Alternative Parents | Aniline and substituted anilines Halopyrimidines Aminopyrimidines and derivatives Imidolactams Aryl fluorides Heteroaromatic compounds Ureas Azacyclic compounds Primary alcohols Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | N-phenylurea - Aniline or substituted anilines - Aminopyrimidine - Halopyrimidine - Aryl fluoride - Aryl halide - Imidolactam - Pyrimidine - Heteroaromatic compound - Urea - Azacycle - Organoheterocyclic compound - Alcohol - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Primary alcohol - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea group. |
| External Descriptors | Not available |
| Molecular Weight | 390.500 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 7 |
| Exact Mass | 390.218 Da |
| Monoisotopic Mass | 390.218 Da |
| Topological Polar Surface Area | 111.000 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 513.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
