4-Methyl-6-(trifluoromethyl)-2-pyrimidinamine
AlkaPlorer ID: AK005049
Synonym: None
IUPAC Name: 4-methyl-6-(trifluoromethyl)pyrimidin-2-amine
Structure
SMILES: CC1=CC(=NC(=N1)N)C(F)(F)F
InChI: InChI=1S/C6H6F3N3/c1-3-2-4(6(7,8)9)12-5(10)11-3/h2H,1H3,(H2,10,11,12)
InChIKey: CNTCLEOUAMWZGS-UHFFFAOYSA-N
Reference
Synthesis and biological evaluations of a series of calycanthaceous analogues as antifungal agents
PubChem CID: 600769
CAS: 5734-63-4
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Chimonanthus praecox | Chimonanthus | Calycanthaceae | Laurales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 177.129
TPSA？: 51.8
MolLogP？: 1.38602
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Heat shock protein HSP90 | Kd | 20000.0 | nM | 10.1021/acs.jmedchem.0c00242 |
| Homo sapiens | Heat shock protein HSP 90-beta | Kd | 20000.0 | nM | 10.1021/jm8000373 |