≥98% 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 | CCCCC1=C(C(=O)NC(=N1)CCC2=CC=CC=C2)CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5 |
|---|---|
| IUPAC Name | 4-butyl-2-(2-phenylethyl)-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1H-pyrimidin-6-one |
| InChIKey | UIAQSYFAKRGALR-UHFFFAOYSA-N |
| INCHI | 1S/C30H30N6O/c1-2-3-13-27-26(30(37)32-28(31-27)19-16-21-9-5-4-6-10-21)20-22-14-17-23(18-15-22)24-11-7-8-12-25(24)29-33-35-36-34-29/h4-12,14-15,17-18H,2-3,13,16,19-20H2,1H3,(H,31,32,37)(H,33,34,35,36) |
| PubChem CID | 135479987 |
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 | Benzene and substituted derivatives |
| Subclass | Biphenyls and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Biphenyls and derivatives |
| Alternative Parents | Phenyltetrazoles and derivatives Pyrimidones Hydropyrimidines Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Biphenyl - Phenyltetrazole - Pyrimidone - Hydropyrimidine - Pyrimidine - Azole - Heteroaromatic compound - Tetrazole - Vinylogous amide - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond. |
| External Descriptors | Not available |
| Molecular Weight | 490.600 g/mol |
|---|---|
| XLogP3 | 5.600 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 10 |
| Exact Mass | 490.248 Da |
| Monoisotopic Mass | 490.248 Da |
| Topological Polar Surface Area | 95.900 Ų |
| Heavy Atom Count | 37 |
| Formal Charge | 0 |
| Complexity | 811.000 |
| 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 |
![6-butyl-2-(2-phenylethyl)-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1H-pyrimidin-4-one - ≥98% , CAS No.144756-71-8](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)