C1=CC(=CC(=C1)NCC2=CN=CC=C2)C3=NC(=NC=C3)NCCC4=CC=C(C=C4)O
Name: 4-[2-[[4-[3-(pyridin-3-ylmethylamino)phenyl]pyrimidin-2-yl]amino]ethyl]phenol
SMILES: C1=CC(=CC(=C1)NCC2=CN=CC=C2)C3=NC(=NC=C3)NCCC4=CC=C(C=C4)O

Molecular Processing

Molecular formula
C24H23N5O
Molecular weight
397.48
Exact mass
397.1903
XLogP
4.51
TPSA
82.96
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
30
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
119.33

Supplementary Information

InChIKey: FSSJFWNJBAXOIT-UHFFFAOYSA-N
Synonyms
SCHEMBL1467280FSSJFWNJBAXOIT-UHFFFAOYSA-N4-[2-(4-{3-[(Pyridin-3-ylmethyl)-amino]-phenyl}-pyrimidin-2-ylamino)-ethyl]-phenol
View source →
Involved in 6 reactions→

Extended Search

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