N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2,6-dimorpholin-4-ylpyrimidin-4-amine

Formula:C19H24N6O3 Mutagenic:high Tumorigenic:none Reproductive Effective:none N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2,6-dimorpholin-4-ylpyrimidin-4-amine is a drug-like molecule.

MolNameN-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2,6-dimorpholin-4-ylpyrimidin-4-amine
MolecularFormulaC19H24N6O3
SmilesC(COCC1)N1c1cc(N/N=C\C=C\c2ccco2)nc(N2CCOCC2)n1
InChIInChI=1S/C19H24N6O3/c1(3-16-4-2-10-28-16)5-20-23-17-15-18(24-6-11-26-12-7-24)22-19(21-17)25-8-13-27-14-9-25/h1-5,10,15H,6-9,11-14H2,(H,21,22,23)
InChIKXEYWYOUOCWGJJG-UHFFFAOYSA-N
TotalMolweight384.439
Molweight384.439
MonoisotopicMass384.190989
CLogP2.895
CLogS-3.646
H Acceptors9
H Donors1
TotalSurfaceArea306.63
Relative PSA0.28086
PolarSurfaceArea88.25
Druglikeness3.118
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.53571
Fragments1
Non HAtoms28
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond6
Rings Closures4
Small Rings4
Aromatic Rings2
Aromatic Atoms11
Sp3Atoms10
Symmetricatoms4
Aromatic Nitrogens2
BasicNitrogens2
StereoCon

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