5-[3,4-Dimethoxy-5-(naphthalen-2-ylethynyl)-benzyl]-pyrimidine-2,4-diamine

HCID 19081658
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Basic information

Standard SMILES
COc1cc(Cc2cnc(N)nc2N)cc(C#Cc2ccc3ccccc3c2)c1OC
InChIKey
HGRWUYFPOPQBMC-UHFFFAOYSA-N
Molecular formula
C25H22N4O2
Average molar mass
410.5 g/mol

Names & identifiers

Preferred name
5-[3,4-Dimethoxy-5-(naphthalen-2-ylethynyl)-benzyl]-pyrimidine-2,4-diamine
IUPAC
5-[[3,4-dimethoxy-5-(2-naphthalen-2-ylethynyl)phenyl]methyl]pyrimidine-2,4-diamine

Names & synonyms

SCHEMBL7128758HGRWUYFPOPQBMC-UHFFFAOYSA-N5-[3,4-dimethoxy-5-(naphthalen-2-ylethynyl)-benzyl]-pyrimidine-2,4-diamine

Database identifiers

PubChem CID
19081658

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
96.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
31

Related reactions

2 records
New reaction record

Linked notes

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