N-[(Z)-(3-nitrophenyl)methylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine

Formula:C21H27N7O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-(3-nitrophenyl)methylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine is a drug-like molecule.

MolName	N-[(Z)-(3-nitrophenyl)methylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine
MolecularFormula	C21H27N7O2
Smiles	[O-][N+](c1cc(/C=N\Nc2nc(N3CCCCC3)nc(N3CCCCC3)c2)ccc1)=O
InChI	InChI=1S/C21H27N7O2/c29-28(30)18-9-7-8-17(14-18)16-22-25-19-15-20(26-10-3-1-4-11-26)24-21(23-19)27-12-5-2-6-13-27/h7-9,14-16H,1-6,10-13H2,(H,23,24,25)
InChIK	QNKCFTFUJMNZLM-UHFFFAOYSA-N
TotalMolweight	409.492
Molweight	409.492
MonoisotopicMass	409.222623
CLogP	4.7536
CLogS	-5.91
H Acceptors	9
H Donors	1
TotalSurfaceArea	321.63
Relative PSA	0.25629
PolarSurfaceArea	102.47
Druglikeness	-2.5018
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.5
Fragments	1
Non HAtoms	30
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	11
Symmetricatoms	4
Aromatic Nitrogens	2
BasicNitrogens	2
AcidicOxygens	1
StereoCon

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