4-(2,6-Difluorobenzyl)-6-(2-butynyloxy)pyrimidine

HCID 22599862
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Basic information

Standard SMILES
CC#CCOc1cc(Cc2c(F)cccc2F)ncn1
InChIKey
HKUOJWCBDMUCKI-UHFFFAOYSA-N
Molecular formula
C15H12F2N2O
Average molar mass
274.26 g/mol
Monoisotopic mass
274.09176933

Names & identifiers

Preferred name
4-(2,6-Difluorobenzyl)-6-(2-butynyloxy)pyrimidine
IUPAC
4-but-2-ynoxy-6-[(2,6-difluorophenyl)methyl]pyrimidine

Names & synonyms

SCHEMBL5417048HKUOJWCBDMUCKI-UHFFFAOYSA-N4-(2,6-difluorobenzyl)-6-(2-butynyloxy)pyrimidine

Database identifiers

PubChem CID
22599862

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
35 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
20

Related reactions

3 records
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Linked notes

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