N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
Formula:C19H17N5O2BrF
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine |
| MolecularFormula | C19H17N5O2BrF |
| Smiles | Fc1c(N2CCOCC2)nc(N/N=C\c2ccc(-c(cc3)ccc3Br)o2)nc1 |
| InChI | InChI=1S/C19H17BrFN5O2/c20-14-3-1-13(2-4-14)17-6-5-15(28-17)11-23-25-19-22-12-16(21)18(24-19)26-7-9-27-10-8-26/h1-6,11-12H,7-10H2,(H,22,24,25) |
| InChIK | KNAVMZLTCICDAB-UHFFFAOYSA-N |
| TotalMolweight | 446.279 |
| Molweight | 446.279 |
| MonoisotopicMass | 445.054964 |
| CLogP | 5.4325 |
| CLogS | -5.652 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 303.03 |
| Relative PSA | 0.23948 |
| PolarSurfaceArea | 75.78 |
| Druglikeness | 2.0447 |
| 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 | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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