4-(4-fluorophenyl)-N-[(E)-furan-2-ylmethylideneamino]-6-phenylpyrimidin-2-amine
Formula:C21H15N4OF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-(4-fluorophenyl)-N-[(E)-furan-2-ylmethylideneamino]-6-phenylpyrimidin-2-amine is not a drug-like molecule.
| MolName | 4-(4-fluorophenyl)-N-[(E)-furan-2-ylmethylideneamino]-6-phenylpyrimidin-2-amine |
| MolecularFormula | C21H15N4OF |
| Smiles | Fc(cc1)ccc1-c1nc(N/N=C/c2ccco2)nc(-c2ccccc2)c1 |
| InChI | InChI=1S/C21H15FN4O/c22-17-10-8-16(9-11-17)20-13-19(15-5-2-1-3-6-15)24-21(25-20)26-23-14-18-7-4-12-27-18/h1-14H,(H,24,25,26) |
| InChIK | VXJXGVMQJMQCHJ-UHFFFAOYSA-N |
| TotalMolweight | 358.375 |
| Molweight | 358.375 |
| MonoisotopicMass | 358.122989 |
| CLogP | 6.4371 |
| CLogS | -5.968 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 282.32 |
| Relative PSA | 0.20905 |
| PolarSurfaceArea | 63.31 |
| Druglikeness | 0.4912 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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