≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | CCCCN1C2=C(C=C(C1=N)C(=O)NC(C)C3=CC=CC=C3)C(=O)N4C=CC=C(C4=N2)C |
|---|---|
| IUPAC Name | 7-butyl-6-imino-11-methyl-2-oxo-N-(1-phenylethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide |
| InChIKey | IOJPLNQZCAMANZ-UHFFFAOYSA-N |
| INCHI | 1S/C25H27N5O2/c1-4-5-13-29-21(26)19(24(31)27-17(3)18-11-7-6-8-12-18)15-20-23(29)28-22-16(2)10-9-14-30(22)25(20)32/h6-12,14-15,17,26H,4-5,13H2,1-3H3,(H,27,31) |
| Molecular Weight | 429.500 |
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 | Pyridopyrimidines |
| Subclass | Pyrido[2,3-d]pyrimidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrido[2,3-d]pyrimidines |
| Alternative Parents | Pyridinecarboxylic acids and derivatives Pyrimidones Methylpyridines Imidolactams Benzene and substituted derivatives Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyrido[2,3-d]pyrimidine - Pyridine carboxylic acid or derivatives - Methylpyridine - Pyrimidone - Monocyclic benzene moiety - Pyridine - Pyrimidine - Imidolactam - Benzenoid - Heteroaromatic compound - Vinylogous amide - Carboxamide group - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrido[2,3-d]pyrimidines. These are compounds containing the pyrido[2,3-d]pyrimidine ring system, which is a pyridopyrimidine isomer with three ring nitrogen atoms at the 1-, 3-, and 8- position. |
| External Descriptors | Not available |
| Molecular Weight | 429.500 g/mol |
|---|---|
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 429.216 Da |
| Monoisotopic Mass | 429.216 Da |
| Topological Polar Surface Area | 88.900 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 978.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![1-Butyl-2-imino-10-methyl-5-oxo-N-(1-phenylethyl)-1,5-dihydro-2H-dipyrido[1,2-A:2,3-D]pyrimidine-3-carboxamide - ≥95% CAS No(617697-67-3) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/B/9/B965801.jpg)