N-[(Z)-benzylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
Formula:C15H16N5OF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine |
| MolecularFormula | C15H16N5OF |
| Smiles | Fc1c(N2CCOCC2)nc(N/N=C\c2ccccc2)nc1 |
| InChI | InChI=1S/C15H16FN5O/c16-13-11-17-15(19-14(13)21-6-8-22-9-7-21)20-18-10-12-4-2-1-3-5-12/h1-5,10-11H,6-9H2,(H,17,19,20) |
| InChIK | ZXEQYXKOUOXUQS-UHFFFAOYSA-N |
| TotalMolweight | 301.324 |
| Molweight | 301.324 |
| MonoisotopicMass | 301.133888 |
| CLogP | 3.7684 |
| CLogS | -3.358 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 234.95 |
| Relative PSA | 0.24882 |
| PolarSurfaceArea | 62.64 |
| Druglikeness | 1.9585 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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