N-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine

Formula:C23H25N6O3Cl Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine is not a drug-like molecule.

MolNameN-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine
MolecularFormulaC23H25N6O3Cl
SmilesClc(cccc1)c1-c1ccc(/C=N\Nc2nc(N3CCOCC3)nc(N3CCOCC3)c2)o1
InChIInChI=1S/C23H25ClN6O3/c24-19-4-2-1-3-18(19)20-6-5-17(33-20)16-25-28-21-15-22(29-7-11-31-12-8-29)27-23(26-21)30-9-13-32-14-10-30/h1-6,15-16H,7-14H2,(H,26,27,28)
InChIKFEGFSJTYJLHHKG-UHFFFAOYSA-N
TotalMolweight468.944
Molweight468.944
MonoisotopicMass468.167666
CLogP5.2329
CLogS-5.868
H Acceptors9
H Donors1
TotalSurfaceArea355.31
Relative PSA0.24238
PolarSurfaceArea88.25
Druglikeness5.1983
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.51515
Fragments1
Non HAtoms33
NonCHAtoms10
Electronegative Atoms10
Rotatable Bond6
Rings Closures5
Small Rings5
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms10
Symmetricatoms4
Aromatic Nitrogens2
BasicNitrogens2
StereoCon

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