[4-Amino-2-(4-hydroxy-cyclohexylamino)-pyrimidin-5-yl]-(5-fluoro-2-methoxy-phenyl)-methanone

HCID 21070549
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Basic information

Standard SMILES
COc1ccc(F)cc1C(=O)c1cnc(NC2CCC(O)CC2)nc1N
InChIKey
QFOKSODFNZUKGX-UHFFFAOYSA-N
Molecular formula
C18H21FN4O3
Average molar mass
360.4 g/mol

Names & identifiers

Preferred name
[4-Amino-2-(4-hydroxy-cyclohexylamino)-pyrimidin-5-yl]-(5-fluoro-2-methoxy-phenyl)-methanone
IUPAC
[4-amino-2-[(4-hydroxycyclohexyl)amino]pyrimidin-5-yl]-(5-fluoro-2-methoxyphenyl)methanone

Names & synonyms

SCHEMBL4347382SCHEMBL13621453QFOKSODFNZUKGX-UHFFFAOYSA-N[4-Amino-2-(4-hydroxy-cyclohexylamino)-pyrimidin-5-yl]-(5-fluoro-2-methoxy-phenyl)-methanone

Database identifiers

PubChem CID
21070549

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
110 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
8
Rotatable bonds
5
Heavy atoms
26

Related reactions

3 records
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Compound notes

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