N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine

Formula:C16H15N5O3BrF Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine is a drug-like molecule.

MolName	N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
MolecularFormula	C16H15N5O3BrF
Smiles	Fc1c(N2CCOCC2)nc(N/N=C\c(cc2OCOc2c2)c2Br)nc1
InChI	InChI=1S/C16H15BrFN5O3/c17-11-6-14-13(25-9-26-14)5-10(11)7-20-22-16-19-8-12(18)15(21-16)23-1-3-24-4-2-23/h5-8H,1-4,9H2,(H,19,21,22)
InChIK	HMMGKNIBUFHGJP-UHFFFAOYSA-N
TotalMolweight	424.229
Molweight	424.229
MonoisotopicMass	423.034229
CLogP	4.605
CLogS	-4.903
H Acceptors	8
H Donors	1
TotalSurfaceArea	273.84
Relative PSA	0.28652
PolarSurfaceArea	81.1
Druglikeness	0.088057
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	9
Symmetricatoms	2
Aromatic Nitrogens	2
BasicNitrogens	2
StereoCon

Click to Load Molecule:

1 - N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine | 2 - N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine

Request More Details | N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments