[4-Amino-2-[1-(thiophene-3-sulfonyl)-piperidin-4-ylamino]-pyrimidin-5-yl]-(5-fluoro-2-methoxy-phenyl)-methanone

HCID 58777610

Basic information

Standard SMILES
COc1ccc(F)cc1C(=O)c1cnc(NC2CCN(S(=O)(=O)c3ccsc3)CC2)nc1N
InChIKey
YCHFZJDJQVRURP-UHFFFAOYSA-N
Molecular formula
C21H22FN5O4S2
Average molar mass
491.6 g/mol

Names & identifiers

Preferred name
[4-Amino-2-[1-(thiophene-3-sulfonyl)-piperidin-4-ylamino]-pyrimidin-5-yl]-(5-fluoro-2-methoxy-phenyl)-methanone
IUPAC
[4-amino-2-[(1-thiophen-3-ylsulfonylpiperidin-4-yl)amino]pyrimidin-5-yl]-(5-fluoro-2-methoxyphenyl)methanone

Names & synonyms

SCHEMBL4350446YCHFZJDJQVRURP-UHFFFAOYSA-N[4-Amino-2-[1-(thiophene-3-sulfonyl)-piperidin-4-ylamino]-pyrimidin-5-yl]-(5-fluoro-2-methoxy-phenyl)-methanone

Database identifiers

PubChem CID
58777610

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
164 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
11
Rotatable bonds
7
Heavy atoms
33

Related reactions

3 records

Compound notes

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