6-(4-methoxybenzyl)-7-neopentyl-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile

HCID 44444208
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Basic information

Standard SMILES
COc1ccc(Cc2cc3cnc(C#N)nc3n2CC(C)(C)C)cc1
InChIKey
OSDDWOIIKLKPAK-UHFFFAOYSA-N
Molecular formula
C20H22N4O
Average molar mass
334.4 g/mol

Names & identifiers

Preferred name
6-(4-methoxybenzyl)-7-neopentyl-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
IUPAC
7-(2,2-dimethylpropyl)-6-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidine-2-carbonitrile

Names & synonyms

CHEMBL250590SCHEMBL4135077OSDDWOIIKLKPAK-UHFFFAOYSA-NBDBM502239396-(4-methoxybenzyl)-7-neopentyl-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile7-(2,2-dimethyl-propyl)-6-(4-methoxy-benzyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile

Database identifiers

PubChem CID
44444208
ChEMBL
CHEMBL250590

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
63.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
25

Related reactions

1 records
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Compound notes

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6-(4-methoxybenzyl)-7-neopentyl-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile (HCID 44444208)｜Huagongshe