N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine

Formula:C26H29N6O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine is not a drug-like molecule.

MolNameN-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine
MolecularFormulaC26H29N6O3Cl
SmilesClc1c(COc2ccc(/C=N\Nc3nc(N4CCOCC4)nc(N4CCOCC4)c3)cc2)cccc1
InChIInChI=1S/C26H29ClN6O3/c27-23-4-2-1-3-21(23)19-36-22-7-5-20(6-8-22)18-28-31-24-17-25(32-9-13-34-14-10-32)30-26(29-24)33-11-15-35-16-12-33/h1-8,17-18H,9-16,19H2,(H,29,30,31)
InChIKRVHOERLGYNTLJE-UHFFFAOYSA-N
TotalMolweight509.008
Molweight509.008
MonoisotopicMass508.198966
CLogP5.6421
CLogS-5.749
H Acceptors9
H Donors1
TotalSurfaceArea389.38
Relative PSA0.21062
PolarSurfaceArea84.34
Druglikeness3.3122
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.55556
Fragments1
Non HAtoms36
NonCHAtoms10
Electronegative Atoms10
Rotatable Bond8
Rings Closures5
Small Rings5
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms12
Symmetricatoms6
Aromatic Nitrogens2
BasicNitrogens2
StereoCon

Request More Details | N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine


SKU Product Name Product Unit Qty Supplier Email
User Name
User Email
Additional Comments