4-[2-(4-{3-[(Ethyl-piperidin-4-yl-amino)-methyl]-phenyl}-pyrimidin-2-ylamino)-ethyl]-2-fluoro-phenol

HCID 67045643
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Basic information

Standard SMILES
CCN(Cc1cccc(-c2ccnc(NCCc3ccc(O)c(F)c3)n2)c1)C1CCNCC1
InChIKey
KZUXYZZFBBQCJK-UHFFFAOYSA-N
Molecular formula
C26H32FN5O
Average molar mass
449.6 g/mol

Names & identifiers

Preferred name
4-[2-(4-{3-[(Ethyl-piperidin-4-yl-amino)-methyl]-phenyl}-pyrimidin-2-ylamino)-ethyl]-2-fluoro-phenol
IUPAC
4-[2-[[4-[3-[[ethyl(piperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-fluorophenol

Names & synonyms

SCHEMBL1469706KZUXYZZFBBQCJK-UHFFFAOYSA-N4-[2-(4-{3-[(Ethyl-piperidin-4-yl-amino)-methyl]-phenyl}-pyrimidin-2-ylamino)-ethyl]-2-fluoro-phenol

Database identifiers

PubChem CID
67045643

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
73.3 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
7
Rotatable bonds
9
Heavy atoms
33

Related reactions

4 records
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Compound notes

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