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

HCID 22060480
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Basic information

Standard SMILES
OCc1ccc(Nc2nc(Cl)ncc2F)cc1
InChIKey
LONUOFCYMLRXMH-UHFFFAOYSA-N
Molecular formula
C11H9ClFN3O
Average molar mass
253.66 g/mol

Names & identifiers

Preferred name
2-chloro-5-fluoro-N4-[4-(hydroxymethyl)phenyl]4-pyrimidineamine
IUPAC
[4-[(2-chloro-5-fluoropyrimidin-4-yl)amino]phenyl]methanol

Names & synonyms

SCHEMBL656758LONUOFCYMLRXMH-UHFFFAOYSA-N2-chloro-5-fluoro-N4-[4-(hydroxymethyl)phenyl]-4-pyrimidineamine2-chloro-5-fluoro-N4-[4-(hydroxymethyl)phenyl]4-pyrimidineamine

Database identifiers

PubChem CID
22060480

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
58 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
17

Related reactions

47 records
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Linked notes

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