N2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-fluoro-N4-(3-hydroxyphenyl)-2,4-pyrimidinediamine

HCID 22060554
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Basic information

Standard SMILES
Oc1cccc(Nc2nc(NCc3ccc4c(c3)OCCO4)ncc2F)c1
InChIKey
AIXWDUFKSQFCDN-UHFFFAOYSA-N
Molecular formula
C19H17FN4O3
Average molar mass
368.4 g/mol

Names & identifiers

Preferred name
N2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-fluoro-N4-(3-hydroxyphenyl)-2,4-pyrimidinediamine
IUPAC
3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-5-fluoropyrimidin-4-yl]amino]phenol

Names & synonyms

SCHEMBL656925AIXWDUFKSQFCDN-UHFFFAOYSA-NN2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-fluoro-N4-(3-hydroxyphenyl)-2,4-pyrimidinediamine

Database identifiers

PubChem CID
22060554

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
88.5 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
8
Rotatable bonds
5
Heavy atoms
27

Related reactions

25 records
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Compound notes

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