≥90% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 | C1=CC=C(C(=C1)CC2=C(N=C(N=C2N)N)N)F |
|---|---|
| IUPAC Name | 5-[(2-fluorophenyl)methyl]pyrimidine-2,4,6-triamine |
| InChIKey | UUWCIAKUXCTWRY-UHFFFAOYSA-N |
| INCHI | 1S/C11H12FN5/c12-8-4-2-1-3-6(8)5-7-9(13)16-11(15)17-10(7)14/h1-4H,5H2,(H6,13,14,15,16,17) |
| Isomeric SMILES | C1=CC=C(C(=C1)CC2=C(N=C(N=C2N)N)N)F |
| PubChem CID | 3806567 |
| Molecular Weight | 233.25 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 | Aminopyrimidines and derivatives |
| Alternative Parents | Fluorobenzenes Imidolactams Aryl fluorides Heteroaromatic compounds Azacyclic compounds Primary amines Organofluorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aminopyrimidine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Imidolactam - Heteroaromatic compound - Azacycle - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organonitrogen compound - Primary amine - Amine - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aminopyrimidines and derivatives. These are organic compounds containing an amino group attached to a pyrimidine ring. 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 | 233.240 g/mol |
|---|---|
| XLogP3 | 1.200 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 233.108 Da |
| Monoisotopic Mass | 233.108 Da |
| Topological Polar Surface Area | 104.000 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 240.000 |
| 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 |
![5-[(2-Fluorophenyl)methyl]pyrimidine-2,4,6-triamine - ≥90% , CAS No.338965-17-6](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)