2-amino-3-[(Z)-(3-pyrimidin-2-yloxyphenyl)methylideneamino]-6-(trifluoromethyl)pyrimidin-4-one
Formula:C16H11N6O2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-amino-3-[(Z)-(3-pyrimidin-2-yloxyphenyl)methylideneamino]-6-(trifluoromethyl)pyrimidin-4-one is a drug-like molecule.
| MolName | 2-amino-3-[(Z)-(3-pyrimidin-2-yloxyphenyl)methylideneamino]-6-(trifluoromethyl)pyrimidin-4-one |
| MolecularFormula | C16H11N6O2F3 |
| Smiles | NC(N1/N=C\c2cc(Oc3ncccn3)ccc2)=NC(C(F)(F)F)=CC1=O |
| InChI | InChI=1S/C16H11F3N6O2/c17-16(18,19)12-8-13(26)25(14(20)24-12)23-9-10-3-1-4-11(7-10)27-15-21-5-2-6-22-15/h1-9H,(H2,20,24) |
| InChIK | GWVFKFGLDOMNKY-UHFFFAOYSA-N |
| TotalMolweight | 376.297 |
| Molweight | 376.297 |
| MonoisotopicMass | 376.089558 |
| CLogP | 1.7337 |
| CLogS | -5.547 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 265.51 |
| Relative PSA | 0.32699 |
| PolarSurfaceArea | 106.06 |
| Druglikeness | -4.2407 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-amino-3-[(Z)-(3-pyrimidin-2-yloxyphenyl)methylideneamino]-6-(trifluoromethyl)pyrimidin-4-one | 2 - 2-amino-3-[(Z)-(3-pyrimidin-2-yloxyphenyl)methylideneamino]-6-(trifluoromethyl)pyrimidin-4-one
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