for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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 | CC1CN(CC(O1)C)C(=O)C2=CC3=C(N2CCCOC)N=C4C=CC=CN4C3=O |
|---|---|
| IUPAC Name | 5-(2,6-dimethylmorpholine-4-carbonyl)-6-(3-methoxypropyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one |
| InChIKey | CKKZKAVZXSCDGM-UHFFFAOYSA-N |
| INCHI | 1S/C21H26N4O4/c1-14-12-23(13-15(2)29-14)21(27)17-11-16-19(24(17)9-6-10-28-3)22-18-7-4-5-8-25(18)20(16)26/h4-5,7-8,11,14-15H,6,9-10,12-13H2,1-3H3 |
| Molecular Weight | 398.500 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyridopyrimidines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyridopyrimidines |
| Alternative Parents | Pyrrolo[2,3-d]pyrimidines Morpholine carboxylic acids and derivatives Pyrrole carboxamides 2-heteroaryl carboxamides Pyrimidones Substituted pyrroles Pyridines and derivatives Vinylogous amides Tertiary carboxylic acid amides Heteroaromatic compounds Lactams Oxacyclic compounds Azacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyridopyrimidine - Morpholine-4-carboxylic acid or derivatives - Pyrrolo[2,3-d]pyrimidine - Pyrrolopyrimidine - 2-heteroaryl carboxamide - Pyrrole-2-carboxamide - Pyrrole-2-carboxylic acid or derivatives - Pyrimidone - Morpholine - Oxazinane - Pyridine - Pyrimidine - Substituted pyrrole - Heteroaromatic compound - Vinylogous amide - Pyrrole - Tertiary carboxylic acid amide - Lactam - Carboxamide group - Oxacycle - Ether - Azacycle - Carboxylic acid derivative - Dialkyl ether - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyridopyrimidines. These are compounds containing a pyridopyrimidine, which consists of a pyridine fused to a pyrimidine. Pyridine is 6-membered ring consisting of five carbon atoms and a nitrogen atom. 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 | 398.500 g/mol |
|---|---|
| XLogP3 | 1.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 398.195 Da |
| Monoisotopic Mass | 398.195 Da |
| Topological Polar Surface Area | 76.400 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 739.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![2-(2,6-dimethylmorpholine-4-carbonyl)-1-(3-methoxypropyl)pyrido[1,2-a]pyrrolo[2,3-d]pyrimidin-4(1H)-one - CAS No(900881-50-7) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/D/9/D956655.jpg)