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C13H16N4O2 | Cheminformatics
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N-[(Z)-2-(1,3-benzodioxol-5-yl)ethylideneamino]-1,4,5,6-tetrahydropyrimidin-2-amine

Molecular 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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