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
- Formal charge
- 0
- Complexity
- 532
Related reactions
3 records
Compound notes
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