≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
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 | C1CC1N2C(=O)C=C(N(C2=O)C3=C(C=C(C=C3)I)F)N |
|---|---|
| IUPAC Name | 6-amino-3-cyclopropyl-1-(2-fluoro-4-iodophenyl)pyrimidine-2,4-dione |
| InChIKey | WVVWGHZIHSJFNG-UHFFFAOYSA-N |
| INCHI | 1S/C13H11FIN3O2/c14-9-5-7(15)1-4-10(9)18-11(16)6-12(19)17(13(18)20)8-2-3-8/h1,4-6,8H,2-3,16H2 |
| Isomeric SMILES | C1CC1N2C(=O)C=C(N(C2=O)C3=C(C=C(C=C3)I)F)N |
| PubChem CID | 59717187 |
| Molecular Weight | 387.15 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Diazines |
| Subclass | Pyrimidines and pyrimidine derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrimidones |
| Alternative Parents | Aminopyrimidines and derivatives Fluorobenzenes Iodobenzenes Aryl fluorides Aryl iodides Hydropyrimidines Vinylogous amides Heteroaromatic compounds Ureas Lactams Azacyclic compounds Organofluorides Hydrocarbon derivatives Organoiodides Organooxygen compounds Organopnictogen compounds Organic oxides Primary amines |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aminopyrimidine - Fluorobenzene - Halobenzene - Iodobenzene - Pyrimidone - Aryl fluoride - Aryl halide - Aryl iodide - Monocyclic benzene moiety - Hydropyrimidine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Lactam - Urea - Azacycle - Organonitrogen compound - Organoiodide - Organofluoride - Organohalogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Primary amine - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrimidones. These are compounds that contain a pyrimidine ring, which bears a ketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. |
| External Descriptors | Not available |
| Molecular Weight | 387.150 g/mol |
|---|---|
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 386.988 Da |
| Monoisotopic Mass | 386.988 Da |
| Topological Polar Surface Area | 66.600 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 480.000 |
| 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 |
