≥98% 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 | C1CN2C(=O)C=C(N=C2NC1C(F)(F)F)Cl |
|---|---|
| IUPAC Name | (8R)-2-chloro-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one |
| InChIKey | ISPPUVAQWCTKNO-SCSAIBSYSA-N |
| INCHI | 1S/C8H7ClF3N3O/c9-5-3-6(16)15-2-1-4(8(10,11)12)13-7(15)14-5/h3-4H,1-2H2,(H,13,14)/t4-/m1/s1 |
| Isomeric SMILES | C1CN2C(=O)C=C(N=C2N[C@H]1C(F)(F)F)Cl |
| Alternate CAS | 1260585-13-4 |
| PubChem CID | 136238741 |
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 | Hydropyrimidines |
| Alternative Parents | Vinylogous halides Vinylogous amides Acrylic acids and derivatives Ketene acetals Guanidines Vinyl chlorides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboximidamides Chloroalkenes Hydrocarbon derivatives Organic oxides Carbonyl compounds Organochlorides Amines Alkyl fluorides Organofluorides |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Substituents | Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - 1,2,3,4-tetrahydropyrimidine - Acrylic acid or derivatives - Vinylogous halide - Vinylogous amide - Guanidine - Ketene acetal or derivatives - Azacycle - Carboxylic acid derivative - Chloroalkene - Haloalkene - Vinyl chloride - Vinyl halide - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organofluoride - Organochloride - Organohalogen compound - Amine - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Alkyl fluoride - Alkyl halide - Aliphatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as hydropyrimidines. These are compounds containing a hydrogenated pyrimidine ring (i.e. containing less than the maximum number of double bonds.). |
| External Descriptors | Not available |
| Molecular Weight | 253.610 g/mol |
|---|---|
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 0 |
| Exact Mass | 253.023 Da |
| Monoisotopic Mass | 253.023 Da |
| Topological Polar Surface Area | 44.700 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 390.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |
![(8R)-2-Chloro-1,6,7,8-tetrahydro-8-(trifluoromethyl)-4H-pyrimido[1,2-a]pyrimidin-4-one - ≥98% , CAS No.1260585-13-4](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)