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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC1=C(C(=NC(=N1)N)C2=C(C=C(C=C2)OCC(=C)C)O)C3=CC=C(C=C3)OC |
|---|---|
| IUPAC Name | 2-[2-amino-5-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]-5-(2-methylprop-2-enoxy)phenol |
| InChIKey | CQMISAYYTJGGAA-UHFFFAOYSA-N |
| INCHI | 1S/C22H23N3O3/c1-13(2)12-28-17-9-10-18(19(26)11-17)21-20(14(3)24-22(23)25-21)15-5-7-16(27-4)8-6-15/h5-11,26H,1,12H2,2-4H3,(H2,23,24,25) |
| Molecular Weight | 377.4 |
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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 | Phenoxy compounds Methoxybenzenes Anisoles Aminopyrimidines and derivatives Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Heteroaromatic compounds Azacyclic compounds Primary amines Hydrocarbon derivatives Organic anions |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 4-phenylpyrimidine - 5-phenylpyrimidine - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Aminopyrimidine - Phenol - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azacycle - Ether - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Amine - Primary amine - Organic anion - Aromatic heteromonocyclic 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 | 377.400 g/mol |
|---|---|
| XLogP3 | 4.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 377.174 Da |
| Monoisotopic Mass | 377.174 Da |
| Topological Polar Surface Area | 90.500 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 509.000 |
| 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 |
![2-[2-Amino-5-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]-5-[(2-methylprop-2-en-1-yl)oxy]phenol , CAS No.850728-98-2](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)