N-[(Z)-furan-2-ylmethylideneamino]-4,6-diphenylpyrimidin-2-amine
Formula:C21H16N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-furan-2-ylmethylideneamino]-4,6-diphenylpyrimidin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-furan-2-ylmethylideneamino]-4,6-diphenylpyrimidin-2-amine |
| MolecularFormula | C21H16N4O |
| Smiles | C(c1ccco1)=N\Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1 |
| InChI | InChI=1S/C21H16N4O/c1-3-8-16(9-4-1)19-14-20(17-10-5-2-6-11-17)24-21(23-19)25-22-15-18-12-7-13-26-18/h1-15H,(H,23,24,25) |
| InChIK | NKIAYMJSGXFKKS-UHFFFAOYSA-N |
| TotalMolweight | 340.385 |
| Molweight | 340.385 |
| MonoisotopicMass | 340.132411 |
| CLogP | 6.3363 |
| CLogS | -5.654 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 275.97 |
| Relative PSA | 0.21386 |
| PolarSurfaceArea | 63.31 |
| Druglikeness | 1.8312 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Symmetricatoms | 10 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-furan-2-ylmethylideneamino]-4,6-diphenylpyrimidin-2-amine | 2 - N-[(Z)-furan-2-ylmethylideneamino]-4,6-diphenylpyrimidin-2-amine
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