5-fluoro-4-morpholin-4-yl-N-[(Z)-pyridin-3-ylmethylideneamino]pyrimidin-2-amine
Formula:C14H15N6OF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-fluoro-4-morpholin-4-yl-N-[(Z)-pyridin-3-ylmethylideneamino]pyrimidin-2-amine is a drug-like molecule.
| MolName | 5-fluoro-4-morpholin-4-yl-N-[(Z)-pyridin-3-ylmethylideneamino]pyrimidin-2-amine |
| MolecularFormula | C14H15N6OF |
| Smiles | Fc1c(N2CCOCC2)nc(N/N=C\c2cnccc2)nc1 |
| InChI | InChI=1S/C14H15FN6O/c15-12-10-17-14(19-13(12)21-4-6-22-7-5-21)20-18-9-11-2-1-3-16-8-11/h1-3,8-10H,4-7H2,(H,17,19,20) |
| InChIK | WCEIMXYCVTYOEO-UHFFFAOYSA-N |
| TotalMolweight | 302.312 |
| Molweight | 302.312 |
| MonoisotopicMass | 302.129137 |
| CLogP | 2.7675 |
| CLogS | -2.563 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 233.71 |
| Relative PSA | 0.29708 |
| PolarSurfaceArea | 75.53 |
| 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 | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 2 |
| StereoCon |
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