2,6-di(piperidin-1-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]pyrimidin-4-amine
Formula:C19H26N6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2,6-di(piperidin-1-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]pyrimidin-4-amine is not a drug-like molecule.
| MolName | 2,6-di(piperidin-1-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]pyrimidin-4-amine |
| MolecularFormula | C19H26N6S |
| Smiles | C(CC1)CCN1c1cc(N/N=C\c2cccs2)nc(N2CCCCC2)n1 |
| InChI | InChI=1S/C19H26N6S/c1-3-9-24(10-4-1)18-14-17(23-20-15-16-8-7-13-26-16)21-19(22-18)25-11-5-2-6-12-25/h7-8,13-15H,1-6,9-12H2,(H,21,22,23) |
| InChIK | YCMQQLRBCTVJNP-UHFFFAOYSA-N |
| TotalMolweight | 370.523 |
| Molweight | 370.523 |
| MonoisotopicMass | 370.193964 |
| CLogP | 5.8826 |
| CLogS | -5.46 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 293.9 |
| Relative PSA | 0.24624 |
| PolarSurfaceArea | 84.89 |
| Druglikeness | 4.1126 |
| 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 | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 10 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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