Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, ≥98%(HPLC) Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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.
| Pubchem Sid | 528764124 |
|---|---|
| Canonical Smiles | CC1(C(=NC2=C(N=CN=C2O1)N)C3=CC=C(C=C3)C4CCC(CC4)CC(=O)O)C |
| IUPAC Name | 2-[4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]acetic acid |
| InChIKey | FUIYMYNYUHVDPT-UHFFFAOYSA-N |
| INCHI | 1S/C22H26N4O3/c1-22(2)19(26-18-20(23)24-12-25-21(18)29-22)16-9-7-15(8-10-16)14-5-3-13(4-6-14)11-17(27)28/h7-10,12-14H,3-6,11H2,1-2H3,(H,27,28)(H2,23,24,25) |
| Isomeric SMILES | CC1(C(=NC2=C(N=CN=C2O1)N)C3=CC=C(C=C3)C4CCC(CC4)CC(=O)O)C |
| PubChem CID | 9865421 |
| Molecular Weight | 394.47 |
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 | Diazines |
| Subclass | Pyrimidines and pyrimidine derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aminopyrimidines and derivatives |
| Alternative Parents | Alkyl aryl ethers Imidolactams Benzene and substituted derivatives Heteroaromatic compounds Ketimines Amino acids Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Primary amines Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Alkyl aryl ether - Aminopyrimidine - Monocyclic benzene moiety - Benzenoid - Imidolactam - Heteroaromatic compound - Amino acid or derivatives - Amino acid - Ketimine - Carboxylic acid derivative - Carboxylic acid - Ether - Oxacycle - Monocarboxylic acid or derivatives - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Imine - Organic oxygen compound - Amine - Organic oxide - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as aminopyrimidines and derivatives. These are organic compounds containing an amino group attached to a pyrimidine ring. 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 |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Sep 10, 2026 | T139201 | |
| Certificate of Analysis | Jun 11, 2025 | T139201 | |
| Certificate of Analysis | Jul 13, 2023 | T139201 | |
| Certificate of Analysis | Jul 13, 2023 | T139201 | |
| Certificate of Analysis | Jul 13, 2023 | T139201 | |
| Certificate of Analysis | Jul 13, 2023 | T139201 | |
| Certificate of Analysis | Jul 13, 2023 | T139201 | |
| Certificate of Analysis | Jul 13, 2023 | T139201 |
| Molecular Weight | 394.500 g/mol |
|---|---|
| XLogP3 | 3.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Exact Mass | 394.2 Da |
| Monoisotopic Mass | 394.2 Da |
| Topological Polar Surface Area | 111.000 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 622.000 |
| 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 |
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