N-[(Z)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine

Formula:C26H29N6OF Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine is not a drug-like molecule.

MolNameN-[(Z)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine
MolecularFormulaC26H29N6OF
SmilesFc1ccc(COc2c(/C=N\Nc3nc(N4CCCC4)nc(N4CCCC4)c3)cccc2)cc1
InChIInChI=1S/C26H29FN6O/c27-22-11-9-20(10-12-22)19-34-23-8-2-1-7-21(23)18-28-31-24-17-25(32-13-3-4-14-32)30-26(29-24)33-15-5-6-16-33/h1-2,7-12,17-18H,3-6,13-16,19H2,(H,29,30,31)
InChIKIMWWTQDDRHSXLY-UHFFFAOYSA-N
TotalMolweight460.555
Molweight460.555
MonoisotopicMass460.238687
CLogP6.7809
CLogS-6.565
H Acceptors7
H Donors1
TotalSurfaceArea360.31
Relative PSA0.1721
PolarSurfaceArea65.88
Druglikeness2.3243
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.52941
Fragments1
Non HAtoms34
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond8
Rings Closures5
Small Rings5
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms10
Symmetricatoms6
Aromatic Nitrogens2
BasicNitrogens2
StereoCon

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