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

Formula:C21H28N6 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-benzylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine is not a drug-like molecule.

MolNameN-[(Z)-benzylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine
MolecularFormulaC21H28N6
SmilesC(CC1)CCN1c1cc(N/N=C\c2ccccc2)nc(N2CCCCC2)n1
InChIInChI=1S/C21H28N6/c1-4-10-18(11-5-1)17-22-25-19-16-20(26-12-6-2-7-13-26)24-21(23-19)27-14-8-3-9-15-27/h1,4-5,10-11,16-17H,2-3,6-9,12-15H2,(H,23,24,25)
InChIKMUSSEZOMLNLIJA-UHFFFAOYSA-N
TotalMolweight364.495
Molweight364.495
MonoisotopicMass364.237544
CLogP6.016
CLogS-5.45
H Acceptors6
H Donors1
TotalSurfaceArea297.96
Relative PSA0.17455
PolarSurfaceArea56.65
Druglikeness2.872
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.51852
Fragments1
Non HAtoms27
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond5
Rings Closures4
Small Rings4
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms10
Symmetricatoms6
Aromatic Nitrogens2
BasicNitrogens2
StereoCon

Request More Details | N-[(Z)-benzylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine


SKU Product Name Product Unit Qty Supplier Email
User Name
User Email
Additional Comments