N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine

Formula:C21H26N6Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine is not a drug-like molecule.

MolNameN-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine
MolecularFormulaC21H26N6Cl2
SmilesClc1cc(Cl)c(/C=N\Nc2nc(N3CCCCC3)nc(N3CCCCC3)c2)cc1
InChIInChI=1S/C21H26Cl2N6/c22-17-8-7-16(18(23)13-17)15-24-27-19-14-20(28-9-3-1-4-10-28)26-21(25-19)29-11-5-2-6-12-29/h7-8,13-15H,1-6,9-12H2,(H,25,26,27)
InChIKRAPFYZQGSFHFIZ-UHFFFAOYSA-N
TotalMolweight433.385
Molweight433.385
MonoisotopicMass432.159598
CLogP7.228
CLogS-6.922
H Acceptors6
H Donors1
TotalSurfaceArea328.8
Relative PSA0.15818
PolarSurfaceArea56.65
Druglikeness2.8442
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.51724
Fragments1
Non HAtoms29
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond5
Rings Closures4
Small Rings4
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms10
Symmetricatoms4
Aromatic Nitrogens2
BasicNitrogens2
StereoCon

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