6-chloro-2-phenyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyrimidin-4-amine
Formula:C16H12N5Cl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
6-chloro-2-phenyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyrimidin-4-amine is a drug-like molecule.
| MolName | 6-chloro-2-phenyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyrimidin-4-amine |
| MolecularFormula | C16H12N5Cl |
| Smiles | Clc1nc(-c2ccccc2)nc(N/N=C\c2cnccc2)c1 |
| InChI | InChI=1S/C16H12ClN5/c17-14-9-15(22-19-11-12-5-4-8-18-10-12)21-16(20-14)13-6-2-1-3-7-13/h1-11H,(H,20,21,22) |
| InChIK | DIFSPTAXGRFSST-UHFFFAOYSA-N |
| TotalMolweight | 309.759 |
| Molweight | 309.759 |
| MonoisotopicMass | 309.078122 |
| CLogP | 4.9746 |
| CLogS | -4.519 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 240.7 |
| Relative PSA | 0.23216 |
| PolarSurfaceArea | 63.06 |
| Druglikeness | 2.3845 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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