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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=C(C=C(C=C1)C2=CC3=NC=CN3C(=O)N2)OC |
|---|---|
| IUPAC Name | 7-(3,4-dimethoxyphenyl)-6H-imidazo[1,2-c]pyrimidin-5-one |
| InChIKey | ILHZIBPAYVNPCB-UHFFFAOYSA-N |
| INCHI | 1S/C14H13N3O3/c1-19-11-4-3-9(7-12(11)20-2)10-8-13-15-5-6-17(13)14(18)16-10/h3-8H,1-2H3,(H,16,18) |
| Isomeric SMILES | COC1=C(C=C(C=C1)C2=CC3=NC=CN3C(=O)N2)OC |
| PubChem CID | 22386555 |
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 | Phenylpyrimidines |
| Alternative Parents | Dimethoxybenzenes Imidazopyrimidines Phenoxy compounds Anisoles Pyrimidones Alkyl aryl ethers N-substituted imidazoles Heteroaromatic compounds Ureas Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 4-phenylpyrimidine - Dimethoxybenzene - O-dimethoxybenzene - Imidazopyrimidinone - Imidazopyrimidine - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Pyrimidone - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Imidazole - Heteroaromatic compound - Azole - Urea - Azacycle - Ether - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. 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 | 271.270 g/mol |
|---|---|
| XLogP3 | 1.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 271.096 Da |
| Monoisotopic Mass | 271.096 Da |
| Topological Polar Surface Area | 65.400 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 412.000 |
| 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 |