2,6-dimorpholin-4-yl-N-[(Z)-thiophen-2-ylmethylideneamino]pyrimidin-4-amine
Formula:C17H22N6O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2,6-dimorpholin-4-yl-N-[(Z)-thiophen-2-ylmethylideneamino]pyrimidin-4-amine is a drug-like molecule.
| MolName | 2,6-dimorpholin-4-yl-N-[(Z)-thiophen-2-ylmethylideneamino]pyrimidin-4-amine |
| MolecularFormula | C17H22N6O2S |
| Smiles | C(COCC1)N1c1cc(N/N=C\c2cccs2)nc(N2CCOCC2)n1 |
| InChI | InChI=1S/C17H22N6O2S/c1-2-14(26-11-1)13-18-21-15-12-16(22-3-7-24-8-4-22)20-17(19-15)23-5-9-25-10-6-23/h1-2,11-13H,3-10H2,(H,19,20,21) |
| InChIK | QFHPSYCMPWFUCB-UHFFFAOYSA-N |
| TotalMolweight | 374.468 |
| Molweight | 374.468 |
| MonoisotopicMass | 374.152494 |
| CLogP | 3.5546 |
| CLogS | -3.682 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 286.38 |
| Relative PSA | 0.32254 |
| PolarSurfaceArea | 103.35 |
| Druglikeness | 4.8064 |
| 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 | 9 |
| Electronegative Atoms | 9 |
| 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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