Basic information
- Standard SMILES
COC(=O)c1ccc(CNc2ncnc(C)c2C#Cc2ccc(C(F)(F)F)cc2)o1- InChIKey
PQCKIBSZHRWTCP-UHFFFAOYSA-N- Molecular formula
- C21H16F3N3O3
- Average molar mass
- 415.4 g/mol
Names & identifiers
- Preferred name
- Methyl 5-(6-methyl-5-{[4-(trifluoromethyl)phenyl]ethynyl}pyrimidin-4-ylaminomethyl)-2-furancarboxylate
- IUPAC
- methyl 5-[[[6-methyl-5-[2-[4-(trifluoromethyl)phenyl]ethynyl]pyrimidin-4-yl]amino]methyl]furan-2-carboxylate
Names & synonyms
Methyl 5-(6-methyl-5-{[4-(trifluoromethyl)phenyl]ethynyl}pyrimidin-4-ylaminomethyl)-2-furancarboxylateSCHEMBL2941759
Database identifiers
- PubChem CID
- 44815752
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 77.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 652
Related reactions
1 records
Compound notes
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