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4-(2-Fluorophenyl)-6-(3-butynyloxy)pyrimidine

HCID 22599799
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
C#CCCOc1cc(-c2ccccc2F)ncn1
InChIKey
GZTWZSZWKFOQFN-UHFFFAOYSA-N
Molecular formula
C14H11FN2O
Average molar mass
242.25 g/mol
Monoisotopic mass
242.08554114

Names & identifiers

Preferred name
4-(2-Fluorophenyl)-6-(3-butynyloxy)pyrimidine
IUPAC
4-but-3-ynoxy-6-(2-fluorophenyl)pyrimidine

Names & synonyms

SCHEMBL5405598GZTWZSZWKFOQFN-UHFFFAOYSA-N4-(2-fluorophenyl)-6-(3-butynyloxy)pyrimidine

Database identifiers

PubChem CID
22599799

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
35 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
18
Formal charge
0
Complexity
301

Related reactions

3 records
New reaction record
HRID 686785 reaction equation
HRID 686785As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1592208 reaction equation
HRID 1592208As productuspto-grants-2007_11
HRID 1759930 reaction equation
HRID 1759930As productuspto-grants-2005_01

Compound notes

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