5-fluoro-4-morpholin-4-yl-N-[(Z)-thiophen-2-ylmethylideneamino]pyrimidin-2-amine
Formula:C13H14N5OFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-fluoro-4-morpholin-4-yl-N-[(Z)-thiophen-2-ylmethylideneamino]pyrimidin-2-amine is a drug-like molecule.
| MolName | 5-fluoro-4-morpholin-4-yl-N-[(Z)-thiophen-2-ylmethylideneamino]pyrimidin-2-amine |
| MolecularFormula | C13H14N5OFS |
| Smiles | Fc1c(N2CCOCC2)nc(N/N=C\c2cccs2)nc1 |
| InChI | InChI=1S/C13H14FN5OS/c14-11-9-15-13(18-16-8-10-2-1-7-21-10)17-12(11)19-3-5-20-6-4-19/h1-2,7-9H,3-6H2,(H,15,17,18) |
| InChIK | BJSCWIGJRLOCKW-UHFFFAOYSA-N |
| TotalMolweight | 307.352 |
| Molweight | 307.352 |
| MonoisotopicMass | 307.090308 |
| CLogP | 3.635 |
| CLogS | -3.368 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 230.89 |
| Relative PSA | 0.34137 |
| PolarSurfaceArea | 90.88 |
| Druglikeness | 3.4664 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 5-fluoro-4-morpholin-4-yl-N-[(Z)-thiophen-2-ylmethylideneamino]pyrimidin-2-amine | 2 - 5-fluoro-4-morpholin-4-yl-N-[(Z)-thiophen-2-ylmethylideneamino]pyrimidin-2-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off