≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,Store at -20°C,Argon charged Ships Ice chest + Ice pads 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 | CC1=CC=C(C=C1)C2=C(N(C3=NC=NC(=C23)N)CCCNCCOC)C(=O)CF |
|---|---|
| IUPAC Name | 1-[4-amino-7-[3-(2-methoxyethylamino)propyl]-5-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-6-yl]-2-fluoroethanone |
| InChIKey | UPTQGXMIZXGVSC-UHFFFAOYSA-N |
| INCHI | 1S/C21H26FN5O2/c1-14-4-6-15(7-5-14)17-18-20(23)25-13-26-21(18)27(19(17)16(28)12-22)10-3-8-24-9-11-29-2/h4-7,13,24H,3,8-12H2,1-2H3,(H2,23,25,26) |
| Molecular Weight | 399.5 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyrroles |
| Subclass | Substituted pyrroles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrroles |
| Alternative Parents | Pyrrolo[2,3-d]pyrimidines Aryl alkyl ketones Toluenes Aminopyrimidines and derivatives Imidolactams Alpha-haloketones Heteroaromatic compounds Azacyclic compounds Dialkyl ethers Dialkylamines Hydrocarbon derivatives Organic oxides Organofluorides Organopnictogen compounds Primary amines Alkyl fluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 3-phenylpyrrole - Pyrrolo[2,3-d]pyrimidine - Pyrrolopyrimidine - Aryl alkyl ketone - Aryl ketone - Aminopyrimidine - Toluene - Monocyclic benzene moiety - Pyrimidine - Imidolactam - Benzenoid - Alpha-haloketone - Heteroaromatic compound - Ketone - Dialkyl ether - Secondary aliphatic amine - Ether - Azacycle - Secondary amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organopnictogen compound - Amine - Alkyl halide - Alkyl fluoride - Organic oxygen compound - Organic oxide - Primary amine - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond. |
| External Descriptors | Not available |
| Molecular Weight | 399.500 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 10 |
| Exact Mass | 399.207 Da |
| Monoisotopic Mass | 399.207 Da |
| Topological Polar Surface Area | 95.100 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 517.000 |
| 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 |
