7-(1-oxaspiro[2.5]oct-6-yl)-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

HCID 22736244
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Basic information

Standard SMILES
Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)cn2C1CCC2(CC1)CO2
InChIKey
DECPKQKUUQJYDC-UHFFFAOYSA-N
Molecular formula
C25H24N4O2
Average molar mass
412.5 g/mol

Names & identifiers

Preferred name
7-(1-oxaspiro[2.5]oct-6-yl)-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
IUPAC
7-(1-oxaspiro[2.5]octan-6-yl)-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine

Names & synonyms

SCHEMBL6861009SCHEMBL6861013SCHEMBL6866055DECPKQKUUQJYDC-UHFFFAOYSA-N7-(1-oxaspiro[2.5]oct-6-yl)-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

Database identifiers

PubChem CID
22736244

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
78.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
31

Related reactions

2 records
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Compound notes

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