5-fluoro-4-morpholin-4-yl-N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]pyrimidin-2-amine
Formula:C19H18N5O2FS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
5-fluoro-4-morpholin-4-yl-N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]pyrimidin-2-amine is a drug-like molecule.
| MolName | 5-fluoro-4-morpholin-4-yl-N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]pyrimidin-2-amine |
| MolecularFormula | C19H18N5O2FS |
| Smiles | Fc1c(N2CCOCC2)nc(N/N=C\c(o2)ccc2Sc2ccccc2)nc1 |
| InChI | InChI=1S/C19H18FN5O2S/c20-16-13-21-19(23-18(16)25-8-10-26-11-9-25)24-22-12-14-6-7-17(27-14)28-15-4-2-1-3-5-15/h1-7,12-13H,8-11H2,(H,21,23,24) |
| InChIK | ILTFWAOIABHZJT-UHFFFAOYSA-N |
| TotalMolweight | 399.449 |
| Molweight | 399.449 |
| MonoisotopicMass | 399.116523 |
| CLogP | 4.8756 |
| CLogS | -4.589 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 301.89 |
| Relative PSA | 0.29832 |
| PolarSurfaceArea | 101.08 |
| Druglikeness | 4.045 |
| Mutagenic | high |
| Tumorigenic | high |
| 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 | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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