6-chloro-2-N-[(Z)-(3-fluorophenyl)methylideneamino]pyrimidine-2,4-diamine
Formula:C11H9N5ClF
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
6-chloro-2-N-[(Z)-(3-fluorophenyl)methylideneamino]pyrimidine-2,4-diamine is a drug-like molecule.
| MolName | 6-chloro-2-N-[(Z)-(3-fluorophenyl)methylideneamino]pyrimidine-2,4-diamine |
| MolecularFormula | C11H9N5ClF |
| Smiles | Nc1cc(Cl)nc(N/N=C\c2cc(F)ccc2)n1 |
| InChI | InChI=1S/C11H9ClFN5/c12-9-5-10(14)17-11(16-9)18-15-6-7-2-1-3-8(13)4-7/h1-6H,(H3,14,16,17,18) |
| InChIK | YZDPBWRWKNEPNF-UHFFFAOYSA-N |
| TotalMolweight | 265.678 |
| Molweight | 265.678 |
| MonoisotopicMass | 265.05305 |
| CLogP | 4.1255 |
| CLogS | -3.83 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 197.05 |
| Relative PSA | 0.3054 |
| PolarSurfaceArea | 76.19 |
| Druglikeness | 0.91392 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 6-chloro-2-N-[(Z)-(3-fluorophenyl)methylideneamino]pyrimidine-2,4-diamine | 2 - 6-chloro-2-N-[(Z)-(3-fluorophenyl)methylideneamino]pyrimidine-2,4-diamine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off