| Canonical Smiles | C1=CC(=C2C=NC(=NC2=C1)N)C(F)(F)F |
|---|---|
| IUPAC Name | 5-(trifluoromethyl)quinazolin-2-amine |
| InChIKey | HTNKVZXYIUDZEK-UHFFFAOYSA-N |
| INCHI | 1S/C9H6F3N3/c10-9(11,12)6-2-1-3-7-5(6)4-14-8(13)15-7/h1-4H,(H2,13,14,15) |
| Isomeric SMILES | C1=CC(=C2C=NC(=NC2=C1)N)C(F)(F)F |
| PubChem CID | 10488765 |
| Molecular Weight | 213.16 |
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 | Diazanaphthalenes |
| Subclass | Benzodiazines |
| Intermediate Tree Nodes | Quinazolines |
| Direct Parent | Quinazolinamines |
| Alternative Parents | Aminopyrimidines and derivatives Benzenoids Heteroaromatic compounds Azacyclic compounds Primary amines Organofluorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Quinazolinamine - Aminopyrimidine - Pyrimidine - Benzenoid - Heteroaromatic compound - Azacycle - Alkyl fluoride - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Amine - Alkyl halide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups. |
| External Descriptors | Not available |
| Molecular Weight | 213.160 g/mol |
|---|---|
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 0 |
| Exact Mass | 213.051 Da |
| Monoisotopic Mass | 213.051 Da |
| Topological Polar Surface Area | 51.800 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 231.000 |
| 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 |
