Name: 2-chloro-N-(8,9-difluoro-2,4-dioxabicyclo[3.2.2]nona-1(8),5(9),6-trien-6-yl)-5-fluoropyrimidin-4-amine

SMILES: C1OC2=C(C(=C(O1)C(=C2)NC3=NC(=NC=C3F)Cl)F)F

Molecular Processing

Molecular formula

C11H5ClF3N3O2

Molecular weight

303.63

Exact mass

303.0022

XLogP

3.02

TPSA

56.27

H-bond donors

H-bond acceptors

Rotatable bonds

Heavy atoms

Rings

Aromatic rings

Saturated rings

Aliphatic rings

Stereo centers

Undefined stereo

Formal charge

Heteroatoms

Covalent units

Fraction Csp3

0.091

Molar refractivity

62.76

Supplementary Information

InChIKey: KMXWRJVIEVAACY-UHFFFAOYSA-N

Synonyme

SCHEMBL654467KMXWRJVIEVAACY-UHFFFAOYSA-N2-chloro-N4-(3,4-difluoromethylenedioxyphenyl)-5-fluoro-4-pyrimidineamine