≥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 | COC1=CC=C(C=C1)CC2=C(N=C(N=C2N)CN3C=NC=N3)N |
|---|---|
| IUPAC Name | 5-[(4-methoxyphenyl)methyl]-2-(1,2,4-triazol-1-ylmethyl)pyrimidine-4,6-diamine |
| InChIKey | QAGHCSUIFCMYFV-UHFFFAOYSA-N |
| INCHI | 1S/C15H17N7O/c1-23-11-4-2-10(3-5-11)6-12-14(16)20-13(21-15(12)17)7-22-9-18-8-19-22/h2-5,8-9H,6-7H2,1H3,(H4,16,17,20,21) |
| Isomeric SMILES | COC1=CC=C(C=C1)CC2=C(N=C(N=C2N)CN3C=NC=N3)N |
| PubChem CID | 3705526 |
| Molecular Weight | 311.35 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Phenol ethers |
| Subclass | Anisoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Anisoles |
| Alternative Parents | Phenoxy compounds Methoxybenzenes Aminopyrimidines and derivatives Alkyl aryl ethers Imidolactams Triazoles Heteroaromatic compounds Azacyclic compounds Primary amines Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Aminopyrimidine - Monocyclic benzene moiety - Pyrimidine - Imidolactam - Azole - Heteroaromatic compound - 1,2,4-triazole - Ether - Azacycle - Organoheterocyclic compound - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof. |
| External Descriptors | Not available |
| Molecular Weight | 311.340 g/mol |
|---|---|
| XLogP3 | 1.100 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 311.149 Da |
| Monoisotopic Mass | 311.149 Da |
| Topological Polar Surface Area | 118.000 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 352.000 |
| 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 |
