2,6-dimorpholin-4-yl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]pyrimidin-4-amine
Formula:C21H26N6O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2,6-dimorpholin-4-yl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]pyrimidin-4-amine is a drug-like molecule.
| MolName | 2,6-dimorpholin-4-yl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]pyrimidin-4-amine |
| MolecularFormula | C21H26N6O2 |
| Smiles | C(COCC1)N1c1cc(N/N=C\C=C\c2ccccc2)nc(N2CCOCC2)n1 |
| InChI | InChI=1S/C21H26N6O2/c1-2-5-18(6-3-1)7-4-8-22-25-19-17-20(26-9-13-28-14-10-26)24-21(23-19)27-11-15-29-16-12-27/h1-8,17H,9-16H2,(H,23,24,25) |
| InChIK | SNBXCVQRXMYUGL-UHFFFAOYSA-N |
| TotalMolweight | 394.477 |
| Molweight | 394.477 |
| MonoisotopicMass | 394.211724 |
| CLogP | 3.7063 |
| CLogS | -3.964 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 316.94 |
| Relative PSA | 0.2272 |
| PolarSurfaceArea | 75.11 |
| Druglikeness | 3.3095 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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1 - 2,6-dimorpholin-4-yl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]pyrimidin-4-amine | 2 - 2,6-dimorpholin-4-yl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]pyrimidin-4-amine
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