[1-(3,5-Dimethyl-phenyl)-1H-pyrazolo[3,4-d]pyrimidine-4-yl]-[2-(2-methoxy-ethoxy)-ethyl]-amine

HCID 44182509
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Basic information

Standard SMILES
COCCOCCNc1ncnc2c1cnn2-c1cc(C)cc(C)c1
InChIKey
SQAKOPVOUSLGRS-UHFFFAOYSA-N
Molecular formula
C18H23N5O2
Average molar mass
341.4 g/mol
Monoisotopic mass
341.18517499

Names & identifiers

Preferred name
[1-(3,5-Dimethyl-phenyl)-1H-pyrazolo[3,4-d]pyrimidine-4-yl]-[2-(2-methoxy-ethoxy)-ethyl]-amine
IUPAC
1-(3,5-dimethylphenyl)-N-[2-(2-methoxyethoxy)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine

Names & synonyms

SCHEMBL3757501SQAKOPVOUSLGRS-UHFFFAOYSA-N[1-(3,5-Dimethyl-phenyl)-1H-pyrazolo[3,4-d]pyrimidine-4-yl]-[2-(2-methoxy-ethoxy)-ethyl]-amine

Database identifiers

PubChem CID
44182509

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
74.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
8
Heavy atoms
25

Related reactions

2 records
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Linked notes

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