2,6-dimorpholin-4-yl-N-[(Z)-(7-nitro-1,3-benzodioxol-5-yl)methylideneamino]pyrimidin-4-amine

Formula:C20H23N7O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2,6-dimorpholin-4-yl-N-[(Z)-(7-nitro-1,3-benzodioxol-5-yl)methylideneamino]pyrimidin-4-amine is not a drug-like molecule.

MolName	2,6-dimorpholin-4-yl-N-[(Z)-(7-nitro-1,3-benzodioxol-5-yl)methylideneamino]pyrimidin-4-amine
MolecularFormula	C20H23N7O6
Smiles	[O-][N+](c1c2OCOc2cc(/C=N\Nc2nc(N3CCOCC3)nc(N3CCOCC3)c2)c1)=O
InChI	InChI=1S/C20H23N7O6/c28-27(29)15-9-14(10-16-19(15)33-13-32-16)12-21-24-17-11-18(25-1-5-30-6-2-25)23-20(22-17)26-3-7-31-8-4-26/h9-12H,1-8,13H2,(H,22,23,24)
InChIK	RMKZQZPSKYPCPO-UHFFFAOYSA-N
TotalMolweight	457.446
Molweight	457.446
MonoisotopicMass	457.170983
CLogP	2.537
CLogS	-4.843
H Acceptors	13
H Donors	1
TotalSurfaceArea	334.37
Relative PSA	0.36615
PolarSurfaceArea	139.39
Druglikeness	-1.9339
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.45455
Fragments	1
Non HAtoms	33
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	14
Symmetricatoms	4
Aromatic Nitrogens	2
BasicNitrogens	2
AcidicOxygens	1
StereoCon

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