2-amino-6-(trifluoromethyl)-3-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]pyrimidin-4-one
Formula:C13H8N4OF6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-amino-6-(trifluoromethyl)-3-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]pyrimidin-4-one is a drug-like molecule.
| MolName | 2-amino-6-(trifluoromethyl)-3-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]pyrimidin-4-one |
| MolecularFormula | C13H8N4OF6 |
| Smiles | NC(N1N=Cc2c(C(F)(F)F)cccc2)=NC(C(F)(F)F)=CC1=O |
| InChI | InChI=1S/C13H8F6N4O/c14-12(15,16)8-4-2-1-3-7(8)6-21-23-10(24)5-9(13(17,18)19)22-11(23)20/h1-6H,(H2,20,22) |
| InChIK | GUYGERJMIZAHJW-UHFFFAOYSA-N |
| TotalMolweight | 350.222 |
| Molweight | 350.222 |
| MonoisotopicMass | 350.060229 |
| CLogP | 2.3801 |
| CLogS | -4.761 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 227.69 |
| Relative PSA | 0.24103 |
| PolarSurfaceArea | 71.05 |
| Druglikeness | -4.175 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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