5-[5-Bromo-4-(2-hydroxy-1-methyl-propoxy)-pyrimidin-2-ylamino]-pyridine-2-sulfonic acid amide

HCID 69333554
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Basic information

Standard SMILES
CC(O)C(C)Oc1nc(Nc2ccc(S(N)(=O)=O)nc2)ncc1Br
InChIKey
HFAXITWIPFQCQM-UHFFFAOYSA-N
Molecular formula
C13H16BrN5O4S
Average molar mass
418.27 g/mol

Names & identifiers

Preferred name
5-[5-Bromo-4-(2-hydroxy-1-methyl-propoxy)-pyrimidin-2-ylamino]-pyridine-2-sulfonic acid amide
IUPAC
5-[[5-bromo-4-(3-hydroxybutan-2-yloxy)pyrimidin-2-yl]amino]pyridine-2-sulfonamide

Names & synonyms

SCHEMBL5153635HFAXITWIPFQCQM-UHFFFAOYSA-N5-[5-bromo-4-(2-hydroxy-1-methyl-propoxy)-pyrimidin-2-ylamino]-pyridine-2-sulfonic acid amide

Database identifiers

PubChem CID
69333554

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
149 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
9
Rotatable bonds
6
Heavy atoms
24

Related reactions

2 records
New reaction record

Linked notes

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