N-(4-fluoroanilino)-N'-thieno[2,3-d]pyrimidin-4-ylmethanimidamide
Formula:C13H10N5FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(4-fluoroanilino)-N'-thieno[2,3-d]pyrimidin-4-ylmethanimidamide is a drug-like molecule.
| MolName | N-(4-fluoroanilino)-N'-thieno[2,3-d]pyrimidin-4-ylmethanimidamide |
| MolecularFormula | C13H10N5FS |
| Smiles | Fc(cc1)ccc1NN/C=N\c1c(ccs2)c2ncn1 |
| InChI | InChI=1S/C13H10FN5S/c14-9-1-3-10(4-2-9)19-18-8-16-12-11-5-6-20-13(11)17-7-15-12/h1-8,19H,(H,15,16,17,18) |
| InChIK | HQMSWZIQDQRXSA-UHFFFAOYSA-N |
| TotalMolweight | 287.321 |
| Molweight | 287.321 |
| MonoisotopicMass | 287.064093 |
| CLogP | 2.8072 |
| CLogS | -4.756 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 215.11 |
| Relative PSA | 0.3567 |
| PolarSurfaceArea | 90.44 |
| Druglikeness | -0.0071574 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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