6-chloro-N-[(Z)-[phenyl(pyrimidin-2-yl)methylidene]amino]pyrimidin-4-amine
Formula:C15H11N6Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6-chloro-N-[(Z)-[phenyl(pyrimidin-2-yl)methylidene]amino]pyrimidin-4-amine is a drug-like molecule.
| MolName | 6-chloro-N-[(Z)-[phenyl(pyrimidin-2-yl)methylidene]amino]pyrimidin-4-amine |
| MolecularFormula | C15H11N6Cl |
| Smiles | Clc1ncnc(N/N=C(/c2ccccc2)\c2ncccn2)c1 |
| InChI | InChI=1S/C15H11ClN6/c16-12-9-13(20-10-19-12)21-22-14(11-5-2-1-3-6-11)15-17-7-4-8-18-15/h1-10H,(H,19,20,21) |
| InChIK | MLKCLHWCFALDKM-UHFFFAOYSA-N |
| TotalMolweight | 310.747 |
| Molweight | 310.747 |
| MonoisotopicMass | 310.073371 |
| CLogP | 3.8555 |
| CLogS | -3.225 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 237.67 |
| Relative PSA | 0.28127 |
| PolarSurfaceArea | 75.95 |
| Druglikeness | 1.2961 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 4 |
| StereoCon |
Click to Load Molecule:
1 - 6-chloro-N-[(Z)-[phenyl(pyrimidin-2-yl)methylidene]amino]pyrimidin-4-amine | 2 - 6-chloro-N-[(Z)-[phenyl(pyrimidin-2-yl)methylidene]amino]pyrimidin-4-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off