2,2,2-trifluoro-N-(6-piperidin-1-ylpyrimidin-4-yl)-N'-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]ethanimidamide

Formula:C19H17N5O2F6 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2,2,2-trifluoro-N-(6-piperidin-1-ylpyrimidin-4-yl)-N'-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]ethanimidamide is not a drug-like molecule.

MolName	2,2,2-trifluoro-N-(6-piperidin-1-ylpyrimidin-4-yl)-N'-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]ethanimidamide
MolecularFormula	C19H17N5O2F6
Smiles	FC(C1(/N=C(\C(F)(F)F)/Nc2ncnc(N3CCCCC3)c2)Oc(cccc2)c2O1)(F)F
InChI	InChI=1S/C19H17F6N5O2/c20-17(21,22)16(28-14-10-15(27-11-26-14)30-8-4-1-5-9-30)29-19(18(23,24)25)31-12-6-2-3-7-13(12)32-19/h2-3,6-7,10-11H,1,4-5,8-9H2,(H,26,27,28,29)
InChIK	MIVCZYJSKKTDHK-UHFFFAOYSA-N
TotalMolweight	461.365
Molweight	461.365
MonoisotopicMass	461.128643
CLogP	5.2146
CLogS	-6.161
H Acceptors	7
H Donors	1
TotalSurfaceArea	306.4
Relative PSA	0.22343
PolarSurfaceArea	71.87
Druglikeness	-10.723
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.46875
Fragments	1
Non HAtoms	32
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	10
Symmetricatoms	10
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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1 - 2,2,2-trifluoro-N-(6-piperidin-1-ylpyrimidin-4-yl)-N'-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]ethanimidamide | 2 - 2,2,2-trifluoro-N-(6-piperidin-1-ylpyrimidin-4-yl)-N'-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]ethanimidamide

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