2-amino-3-[(Z)-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylideneamino]-6-(trifluoromethyl)pyrimidin-4-one
Formula:C19H13N4O2ClF4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-amino-3-[(Z)-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylideneamino]-6-(trifluoromethyl)pyrimidin-4-one is a drug-like molecule.
| MolName | 2-amino-3-[(Z)-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylideneamino]-6-(trifluoromethyl)pyrimidin-4-one |
| MolecularFormula | C19H13N4O2ClF4 |
| Smiles | NC(N1N=Cc(cc2)ccc2OCc(c(F)ccc2)c2Cl)=NC(C(F)(F)F)=CC1=O |
| InChI | InChI=1S/C19H13ClF4N4O2/c20-14-2-1-3-15(21)13(14)10-30-12-6-4-11(5-7-12)9-26-28-17(29)8-16(19(22,23)24)27-18(28)25/h1-9H,10H2,(H2,25,27) |
| InChIK | OODALGXMGBVYRB-UHFFFAOYSA-N |
| TotalMolweight | 440.783 |
| Molweight | 440.783 |
| MonoisotopicMass | 440.066315 |
| CLogP | 3.5867 |
| CLogS | -6.374 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 303.52 |
| Relative PSA | 0.21376 |
| PolarSurfaceArea | 80.28 |
| Druglikeness | -4.3982 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-amino-3-[(Z)-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylideneamino]-6-(trifluoromethyl)pyrimidin-4-one | 2 - 2-amino-3-[(Z)-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylideneamino]-6-(trifluoromethyl)pyrimidin-4-one
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