2-Amino-3-[[2-(4-chlorophenoxy)phenyl]methylideneamino]-6-(trifluoromethyl)pyrimidin-4-one
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Basic information
- CAS
866149-02-2- Standard SMILES
Nc1nc(C(F)(F)F)cc(=O)n1N=Cc1ccccc1Oc1ccc(Cl)cc1- InChIKey
RZPLYBHRHHHSHT-UHFFFAOYSA-N- Molecular formula
- C18H12ClF3N4O2
- Average molar mass
- 408.8 g/mol
- Monoisotopic mass
- 408.0600878
Names & identifiers
- Preferred name
- 2-Amino-3-[[2-(4-chlorophenoxy)phenyl]methylideneamino]-6-(trifluoromethyl)pyrimidin-4-one
- IUPAC
- 2-amino-3-[[2-(4-chlorophenoxy)phenyl]methylideneamino]-6-(trifluoromethyl)pyrimidin-4-one
- English name
- 2-AMINO-3-(((E)-[2-(4-CHLOROPHENOXY)PHENYL]METHYLIDENE)AMINO)-6-(TRIFLUOROMETHYL)-4(3H)-PYRIMIDINONE
- Molecular formula
- C18H12ClF3N4O2
- Molecular weight
- 408.76
Names & synonyms
2-amino-3-[[2-(4-chlorophenoxy)phenyl]methylideneamino]-6-(trifluoromethyl)pyrimidin-4-one4(3H)-Pyrimidinone, 2-amino-3-[[[2-(4-chlorophenoxy)phenyl]methylene]amino]-6-(trifluoromethyl)-2-AMINO-3-(((E)-[2-(4-CHLOROPHENOXY)PHENYL]METHYLIDENE)AMINO)-6-(TRIFLUOROMETHYL)-4(3H)-PYRIMIDINONE2-amino-3-[(E)-{[2-(4-chlorophenoxy)phenyl]methylidene}amino]-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one
Database identifiers
- CAS
866149-02-2- PubChem CID
- 4516476
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 672
Physicochemical properties
- Boiling point
- 467.4 · 467.4±55.0 °C(Predicted)
- Density
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- pka
- -0.89 · -0.89±0.20(Predicted)
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Compound notes
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