Name: 4-[5-bromo-2-(2-methoxy-ethoxy)-phenyl)-6-chloro-pyrimidin-2-ylamine
SMILES:
COCCOc1ccc(Br)cc1-c1cc(Cl)nc(N)n1Molecular Processing
Molecular formula
C13H13BrClN3O2
Molecular weight
358.62
Exact mass
356.988
XLogP
3.17
TPSA
70.26
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
20
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
81.96
Supplementary Information
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