2-chloro-5-fluoro-N4-[4-(prop-2-ynyloxy)phenyl]-4-pyrimidineamine

HCID 57562899
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Basic information

Standard SMILES
C#CCOc1ccc(Nc2nc(Cl)ncc2F)cc1
InChIKey
NDYLNUUDIPIPRF-UHFFFAOYSA-N
Molecular formula
C13H9ClFN3O
Average molar mass
277.68 g/mol
Monoisotopic mass
277.0418178

Names & identifiers

Preferred name
2-chloro-5-fluoro-N4-[4-(prop-2-ynyloxy)phenyl]-4-pyrimidineamine
IUPAC
2-chloro-5-fluoro-N-(4-prop-2-ynoxyphenyl)pyrimidin-4-amine

Names & synonyms

SCHEMBL1275674NDYLNUUDIPIPRF-UHFFFAOYSA-N2-chloro-5-fluoro-N4-[4-(prop-2-ynyloxy)phenyl]-4-pyrimidineamine

Database identifiers

PubChem CID
57562899

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
47 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
19

Related reactions

27 records
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Compound notes

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