6-morpholin-4-yl-4-N-phenyl-2-N-[(Z)-pyridin-3-ylmethylideneamino]-1,3,5-triazine-2,4-diamine
Formula:C19H20N8O
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
6-morpholin-4-yl-4-N-phenyl-2-N-[(Z)-pyridin-3-ylmethylideneamino]-1,3,5-triazine-2,4-diamine is a drug-like molecule.
| MolName | 6-morpholin-4-yl-4-N-phenyl-2-N-[(Z)-pyridin-3-ylmethylideneamino]-1,3,5-triazine-2,4-diamine |
| MolecularFormula | C19H20N8O |
| Smiles | C(COCC1)N1c1nc(N/N=C\c2cnccc2)nc(Nc2ccccc2)n1 |
| InChI | InChI=1S/C19H20N8O/c1-2-6-16(7-3-1)22-17-23-18(26-21-14-15-5-4-8-20-13-15)25-19(24-17)27-9-11-28-12-10-27/h1-8,13-14H,9-12H2,(H2,22,23,24,25,26) |
| InChIK | BJWMDRFBUGXMFG-UHFFFAOYSA-N |
| TotalMolweight | 376.423 |
| Molweight | 376.423 |
| MonoisotopicMass | 376.176007 |
| CLogP | 4.461 |
| CLogS | -4.221 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 297.34 |
| Relative PSA | 0.30894 |
| PolarSurfaceArea | 100.45 |
| Druglikeness | 3.4259 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - 6-morpholin-4-yl-4-N-phenyl-2-N-[(Z)-pyridin-3-ylmethylideneamino]-1,3,5-triazine-2,4-diamine | 2 - 6-morpholin-4-yl-4-N-phenyl-2-N-[(Z)-pyridin-3-ylmethylideneamino]-1,3,5-triazine-2,4-diamine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off