4,6-di(piperidin-1-yl)-N-[(Z)-pyridin-2-ylmethylideneamino]-1,3,5-triazin-2-amine

Formula:C19H26N8 Mutagenic:high Tumorigenic:high Reproductive Effective:high 4,6-di(piperidin-1-yl)-N-[(Z)-pyridin-2-ylmethylideneamino]-1,3,5-triazin-2-amine is a drug-like molecule.

MolName4,6-di(piperidin-1-yl)-N-[(Z)-pyridin-2-ylmethylideneamino]-1,3,5-triazin-2-amine
MolecularFormulaC19H26N8
SmilesC(CC1)CCN1c1nc(N/N=C\c2ncccc2)nc(N2CCCCC2)n1
InChIInChI=1S/C19H26N8/c1-5-11-26(12-6-1)18-22-17(25-21-15-16-9-3-4-10-20-16)23-19(24-18)27-13-7-2-8-14-27/h3-4,9-10,15H,1-2,5-8,11-14H2,(H,22,23,24,25)
InChIKJHOBSHRANAZBGA-UHFFFAOYSA-N
TotalMolweight366.471
Molweight366.471
MonoisotopicMass366.228042
CLogP4.9816
CLogS-4.548
H Acceptors8
H Donors1
TotalSurfaceArea295.48
Relative PSA0.25027
PolarSurfaceArea82.43
Druglikeness2.872
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritanthigh
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.51852
Fragments1
Non HAtoms27
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond5
Rings Closures4
Small Rings4
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms10
Symmetricatoms10
Aromatic Nitrogens4
BasicNitrogens3
StereoCon

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