2-((2-Hydroxy-ethyl)-{4-[4-((r)-1-phenyl-ethylamino)-7h-pyrrolo[2,3-d]pyrimidin-6-yl]-benzyl}-amino)-ethanol

HCID 69181791

Basic information

Standard SMILES
C[C@@H](Nc1ncnc2[nH]c(-c3ccc(CN(CCO)CCO)cc3)cc12)c1ccccc1
InChIKey
SQWRUZOVFYJZSP-GOSISDBHSA-N
Molecular formula
C25H29N5O2
Average molar mass
431.5 g/mol
Monoisotopic mass
431.23212518

Names & identifiers

Preferred name
2-((2-Hydroxy-ethyl)-{4-[4-((r)-1-phenyl-ethylamino)-7h-pyrrolo[2,3-d]pyrimidin-6-yl]-benzyl}-amino)-ethanol
IUPAC
2-[2-hydroxyethyl-[[4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]amino]ethanol

Names & synonyms

SCHEMBL4769390SQWRUZOVFYJZSP-GOSISDBHSA-N2-((2-hydroxy-ethyl)-{4-[4-((r)-1-phenyl-ethylamino)-7h-pyrrolo[2,3-d]pyrimidin-6-yl]-benzyl}-amino)-ethanol2-((2-hydroxy-ethyl)-{4-[4-((r)-1-phenyl-ethylamino)-7h-pyrrolo[2.3-d]pyrimidin-6-yl]-benzyl}-amino)-ethanol

Database identifiers

PubChem CID
69181791

Properties

Computed structural properties

XLogP
3
Topological polar surface area
97.3 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
6
Rotatable bonds
10
Heavy atoms
32

Related reactions

3 records

Compound notes

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