C1=CC(=CC(=C1)N)C2=NC(=NC=C2)NCCC3=CC=C(C=C3)O
Name: 4-[2-[[4-(3-aminophenyl)pyrimidin-2-yl]amino]ethyl]phenol
SMILES: C1=CC(=CC(=C1)N)C2=NC(=NC=C2)NCCC3=CC=C(C=C3)O

Molecular Processing

Molecular formula
C18H18N4O
Molecular weight
306.37
Exact mass
306.1481
XLogP
3.09
TPSA
84.06
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
23
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
92.18

Supplementary Information

InChIKey: PPJILTKAEHSKFV-UHFFFAOYSA-N
Synonyme
SCHEMBL1467909PPJILTKAEHSKFV-UHFFFAOYSA-N4-{2-[4-(3-Amino-phenyl)-pyrimidin-2-ylamino]-ethyl}-phenol
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