CC1=CC(=C(C=C1OC2=NC(=NC(=C2)C)Cl)C)N
Name: 4-(2-chloro-6-methylpyrimidin-4-yl)oxy-2,5-dimethylaniline
SMILES: CC1=CC(=C(C=C1OC2=NC(=NC(=C2)C)Cl)C)N

Molecular Processing

Molecular formula
C13H14ClN3O
Molecular weight
263.73
Exact mass
263.0825
XLogP
3.43
TPSA
61.03
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
72.18

Supplementary Information

InChIKey: JTMKLZOGAHHPPA-UHFFFAOYSA-N
Synonyme
SCHEMBL1424087JTMKLZOGAHHPPA-UHFFFAOYSA-N4-[(2-chloro-6-methylpyrimidin-4-yl)oxy]-2,5-dimethylaniline4-[(2-chloro-6-methylpyrimidin-4-yl)oxy]-2,5-dimethyl-aniline
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