5-phenyl-N-[(Z)-pyridin-4-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine
Formula:C18H13N5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-phenyl-N-[(Z)-pyridin-4-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine is not a drug-like molecule.
| MolName | 5-phenyl-N-[(Z)-pyridin-4-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine |
| MolecularFormula | C18H13N5S |
| Smiles | C(c1ccncc1)=N\Nc1c(c(-c2ccccc2)cs2)c2ncn1 |
| InChI | InChI=1S/C18H13N5S/c1-2-4-14(5-3-1)15-11-24-18-16(15)17(20-12-21-18)23-22-10-13-6-8-19-9-7-13/h1-12H,(H,20,21,23) |
| InChIK | LBXPTQPKYYSEBP-UHFFFAOYSA-N |
| TotalMolweight | 331.402 |
| Molweight | 331.402 |
| MonoisotopicMass | 331.089165 |
| CLogP | 5.3228 |
| CLogS | -5.927 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 255.82 |
| Relative PSA | 0.29802 |
| PolarSurfaceArea | 91.3 |
| Druglikeness | 2.86 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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