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4-(4-Methoxyphenoxy)-6-(2-propynyloxy)pyrimidine

HCID 22599754
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
C#CCOc1cc(Oc2ccc(OC)cc2)ncn1
InChIKey
JODFVTYXKSPQEF-UHFFFAOYSA-N
Molecular formula
C14H12N2O3
Average molar mass
256.26 g/mol
Monoisotopic mass
256.08479225

Names & identifiers

Preferred name
4-(4-Methoxyphenoxy)-6-(2-propynyloxy)pyrimidine
IUPAC
4-(4-methoxyphenoxy)-6-prop-2-ynoxypyrimidine

Names & synonyms

SCHEMBL5407437JODFVTYXKSPQEF-UHFFFAOYSA-N4-(4-methoxyphenoxy)-6-(2-propynyloxy)pyrimidine

Database identifiers

PubChem CID
22599754

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
53.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
19
Formal charge
0
Complexity
307

Related reactions

3 records
New reaction record
HRID 91046 reaction equation
HRID 91046As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 1592099 reaction equation
HRID 1592099As productuspto-grants-2007_11
HRID 1759820 reaction equation
HRID 1759820As productuspto-grants-2005_01

Compound notes

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