N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
Formula:C15H14N5OCl2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine is a drug-like molecule.
| MolName | N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine |
| MolecularFormula | C15H14N5OCl2F |
| Smiles | Fc1c(N2CCOCC2)nc(N/N=C\c(ccc(Cl)c2)c2Cl)nc1 |
| InChI | InChI=1S/C15H14Cl2FN5O/c16-11-2-1-10(12(17)7-11)8-20-22-15-19-9-13(18)14(21-15)23-3-5-24-6-4-23/h1-2,7-9H,3-6H2,(H,19,21,22) |
| InChIK | WGVBVSAOXGRIKD-UHFFFAOYSA-N |
| TotalMolweight | 370.214 |
| Molweight | 370.214 |
| MonoisotopicMass | 369.055942 |
| CLogP | 4.9804 |
| CLogS | -4.83 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 265.79 |
| Relative PSA | 0.21995 |
| PolarSurfaceArea | 62.64 |
| Druglikeness | 1.9722 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine | 2 - N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off