Name: 4-[5-bromo-2-(3-dimethylamino-propoxy)-phenyl]-6-chloro-pyrimidin-2-ylamine
SMILES:
CN(C)CCCOc1ccc(Br)cc1-c1cc(Cl)nc(N)n1Molecular Processing
Molecular formula
C15H18BrClN4O
Molecular weight
385.69
Exact mass
384.0353
XLogP
3.47
TPSA
64.27
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
22
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
0.333
Molar refractivity
93.26
Supplementary Information
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