2-amino-3-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-6-(trifluoromethyl)pyrimidin-4-one
Formula:C19H15N4O2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-amino-3-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-6-(trifluoromethyl)pyrimidin-4-one is a drug-like molecule.
| MolName | 2-amino-3-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-6-(trifluoromethyl)pyrimidin-4-one |
| MolecularFormula | C19H15N4O2F3 |
| Smiles | NC(N1/N=C\c(cc2)ccc2OCc2ccccc2)=NC(C(F)(F)F)=CC1=O |
| InChI | InChI=1S/C19H15F3N4O2/c20-19(21,22)16-10-17(27)26(18(23)25-16)24-11-13-6-8-15(9-7-13)28-12-14-4-2-1-3-5-14/h1-11H,12H2,(H2,23,25) |
| InChIK | RBBRAKZANOXLEV-UHFFFAOYSA-N |
| TotalMolweight | 388.348 |
| Molweight | 388.348 |
| MonoisotopicMass | 388.11471 |
| CLogP | 2.8799 |
| CLogS | -5.324 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 281.75 |
| Relative PSA | 0.23028 |
| PolarSurfaceArea | 80.28 |
| Druglikeness | -4.4478 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-amino-3-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-6-(trifluoromethyl)pyrimidin-4-one | 2 - 2-amino-3-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-6-(trifluoromethyl)pyrimidin-4-one
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