≥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 | CCC(CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC(=CC=C3)C4=CC=CC=N4 |
|---|---|
| IUPAC Name | (2R)-2-[[9-propan-2-yl-6-[(3-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]butan-1-ol |
| InChIKey | UJDUYGXNYHTXRE-LJQANCHMSA-N |
| INCHI | 1S/C24H29N7O/c1-4-19(14-32)28-24-29-22(21-23(30-24)31(15-27-21)16(2)3)26-13-17-8-7-9-18(12-17)20-10-5-6-11-25-20/h5-12,15-16,19,32H,4,13-14H2,1-3H3,(H2,26,28,29,30)/t19-/m1/s1 |
| Isomeric SMILES | CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC(=CC=C3)C4=CC=CC=N4 |
| PubChem CID | 25052985 |
| Molecular Weight | 431.55 |
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 | Organoheterocyclic compounds |
| Class | Pyridines and derivatives |
| Subclass | Phenylpyridines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyridines |
| Alternative Parents | 6-alkylaminopurines Benzylamines Aminopyrimidines and derivatives N-substituted imidazoles Imidolactams Heteroaromatic compounds Azacyclic compounds Primary alcohols Hydrocarbon derivatives Amines |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 2-phenylpyridine - 6-alkylaminopurine - 6-aminopurine - Imidazopyrimidine - Purine - Benzylamine - Aminopyrimidine - Monocyclic benzene moiety - N-substituted imidazole - Imidolactam - Pyrimidine - Benzenoid - Heteroaromatic compound - Imidazole - Azole - Azacycle - Organooxygen compound - Organonitrogen compound - Alcohol - Hydrocarbon derivative - Organic nitrogen compound - Primary alcohol - Amine - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond. |
| External Descriptors | Not available |
| Molecular Weight | 431.500 g/mol |
|---|---|
| XLogP3 | 3.800 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 9 |
| Exact Mass | 431.243 Da |
| Monoisotopic Mass | 431.243 Da |
| Topological Polar Surface Area | 101.000 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 564.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |
