N4-(4-ethoxyphenyl)-N2-(3-hydroxyphenyl)-5-fluoro-2,4-pyrimidinediamine

HCID 22060751
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Basic information

Standard SMILES
CCOc1ccc(Nc2nc(Nc3cccc(O)c3)ncc2F)cc1
InChIKey
CESQMUKNHCRTOX-UHFFFAOYSA-N
Molecular formula
C18H17FN4O2
Average molar mass
340.4 g/mol

Names & identifiers

Preferred name
N4-(4-ethoxyphenyl)-N2-(3-hydroxyphenyl)-5-fluoro-2,4-pyrimidinediamine
IUPAC
3-[[4-(4-ethoxyanilino)-5-fluoropyrimidin-2-yl]amino]phenol

Names & synonyms

SCHEMBL656111CESQMUKNHCRTOX-UHFFFAOYSA-NN4-(4-ethoxyphenyl)-N2-(3-hydroxyphenyl)-5-fluoro-2,4-pyrimidinediamine

Database identifiers

PubChem CID
22060751

Properties

Computed structural properties

XLogP
4
Topological polar surface area
79.3 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
25

Related reactions

25 records
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Compound notes

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