5-(3-Benzyloxyphenyl)-7-[3-(3-(1-imidazolyl)propoxy)phenyl]-4-aminopyrrolo[2,3-d]-pyrimidine
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Basic information
- Standard SMILES
Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2-c1cccc(OCCCn2ccnc2)c1- InChIKey
VOZWHXUJKAXJQX-UHFFFAOYSA-N- Molecular formula
- C31H28N6O2
- Average molar mass
- 516.6 g/mol
Names & identifiers
- Preferred name
- 5-(3-Benzyloxyphenyl)-7-[3-(3-(1-imidazolyl)propoxy)phenyl]-4-aminopyrrolo[2,3-d]-pyrimidine
- IUPAC
- 7-[3-(3-imidazol-1-ylpropoxy)phenyl]-5-(3-phenylmethoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
Names & synonyms
SCHEMBL7846032VOZWHXUJKAXJQX-UHFFFAOYSA-N5-(3-benzyloxyphenyl)-7-[3-(3-(1-imidazolyl)propoxy)phenyl]-4-aminopyrrolo[2,3-d]-pyrimidine
Database identifiers
- PubChem CID
- 70205656
Properties
Computed structural propertiesFilling in
- XLogP
- 5.1
- Topological polar surface area
- 93 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 738
Related reactions
3 records
Compound notes
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