N-[(Z)-anthracen-9-ylmethylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine

Formula:C27H28N6 Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[(Z)-anthracen-9-ylmethylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine is not a drug-like molecule.

MolName	N-[(Z)-anthracen-9-ylmethylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine
MolecularFormula	C27H28N6
Smiles	C(CC1)CN1c1cc(N/N=C\c2c(cccc3)c3cc3ccccc23)nc(N2CCCC2)n1
InChI	InChI=1S/C27H28N6/c1-3-11-22-20(9-1)17-21-10-2-4-12-23(21)24(22)19-28-31-25-18-26(32-13-5-6-14-32)30-27(29-25)33-15-7-8-16-33/h1-4,9-12,17-19H,5-8,13-16H2,(H,29,30,31)
InChIK	YSAXLRRQBDQJRM-UHFFFAOYSA-N
TotalMolweight	436.561
Molweight	436.561
MonoisotopicMass	436.237544
CLogP	7.7208
CLogS	-8.122
H Acceptors	6
H Donors	1
TotalSurfaceArea	339.64
Relative PSA	0.15313
PolarSurfaceArea	56.65
Druglikeness	4.2501
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.42424
Fragments	1
Non HAtoms	33
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	8
Symmetricatoms	10
Aromatic Nitrogens	2
BasicNitrogens	2
StereoCon

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