N-[(Z)-2-(1,3-benzodioxol-5-yl)ethylideneamino]-1,4,5,6-tetrahydropyrimidin-2-amine

Formula:C13H16N4O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-2-(1,3-benzodioxol-5-yl)ethylideneamino]-1,4,5,6-tetrahydropyrimidin-2-amine is a drug-like molecule.

MolName	N-[(Z)-2-(1,3-benzodioxol-5-yl)ethylideneamino]-1,4,5,6-tetrahydropyrimidin-2-amine
MolecularFormula	C13H16N4O2
Smiles	C(/C=N\NC1=NCCCN1)c(cc1)cc2c1OCO2
InChI	InChI=1S/C13H16N4O2/c1-5-14-13(15-6-1)17-16-7-4-10-2-3-11-12(8-10)19-9-18-11/h2-3,7-8H,1,4-6,9H2,(H2,14,15,17)
InChIK	HBCPONUTWFCOKU-UHFFFAOYSA-N
TotalMolweight	260.296
Molweight	260.296
MonoisotopicMass	260.127326
CLogP	1.5544
CLogS	-3.8
H Acceptors	6
H Donors	2
TotalSurfaceArea	205.71
Relative PSA	0.32055
PolarSurfaceArea	67.24
Druglikeness	4.0541
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.68421
Fragments	1
Non HAtoms	19
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	7
BasicNitrogens	1
StereoCon

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1 - N-[(Z)-2-(1,3-benzodioxol-5-yl)ethylideneamino]-1,4,5,6-tetrahydropyrimidin-2-amine | 2 - N-[(Z)-2-(1,3-benzodioxol-5-yl)ethylideneamino]-1,4,5,6-tetrahydropyrimidin-2-amine

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