2,6-bis(azepan-1-yl)-N-[(Z)-pyridin-4-ylmethylideneamino]pyrimidin-4-amine

Formula:C22H31N7 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2,6-bis(azepan-1-yl)-N-[(Z)-pyridin-4-ylmethylideneamino]pyrimidin-4-amine is not a drug-like molecule.

MolName	2,6-bis(azepan-1-yl)-N-[(Z)-pyridin-4-ylmethylideneamino]pyrimidin-4-amine
MolecularFormula	C22H31N7
Smiles	C(CCC1)CCN1c1cc(N/N=C\c2ccncc2)nc(N2CCCCCC2)n1
InChI	InChI=1S/C22H31N7/c1-2-6-14-28(13-5-1)21-17-20(27-24-18-19-9-11-23-12-10-19)25-22(26-21)29-15-7-3-4-8-16-29/h9-12,17-18H,1-8,13-16H2,(H,25,26,27)
InChIK	GEMSGFRQNIECHO-UHFFFAOYSA-N
TotalMolweight	393.537
Molweight	393.537
MonoisotopicMass	393.264093
CLogP	5.6991
CLogS	-5.195
H Acceptors	7
H Donors	1
TotalSurfaceArea	324.24
Relative PSA	0.19424
PolarSurfaceArea	69.54
Druglikeness	0.31944
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.48276
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	12
Symmetricatoms	8
Aromatic Nitrogens	3
BasicNitrogens	2
StereoCon

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