N-[4-[(4-chlorophenyl)methoxy]phenyl]-4,6-dimethylpyrimidin-2-amine
Formula:C19H18N3OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[4-[(4-chlorophenyl)methoxy]phenyl]-4,6-dimethylpyrimidin-2-amine is a drug-like molecule.
| MolName | N-[4-[(4-chlorophenyl)methoxy]phenyl]-4,6-dimethylpyrimidin-2-amine |
| MolecularFormula | C19H18N3OCl |
| Smiles | Cc1nc(Nc(cc2)ccc2OCc(cc2)ccc2Cl)nc(C)c1 |
| InChI | InChI=1S/C19H18ClN3O/c1-13-11-14(2)22-19(21-13)23-17-7-9-18(10-8-17)24-12-15-3-5-16(20)6-4-15/h3-11H,12H2,1-2H3,(H,21,22,23) |
| InChIK | KUSAHIMCZIOURU-UHFFFAOYSA-N |
| TotalMolweight | 339.825 |
| Molweight | 339.825 |
| MonoisotopicMass | 339.113839 |
| CLogP | 4.7462 |
| CLogS | -5.274 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 265.46 |
| Relative PSA | 0.16349 |
| PolarSurfaceArea | 47.04 |
| Druglikeness | -1.19 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 7 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[4-[(4-chlorophenyl)methoxy]phenyl]-4,6-dimethylpyrimidin-2-amine | 2 - N-[4-[(4-chlorophenyl)methoxy]phenyl]-4,6-dimethylpyrimidin-2-amine
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