5-[5-Bromo-4-(1-ethyl-2-oxo-propylsulfanyl)-pyrimidin-2-ylamino]-pyridine-2-sulfonic acid amide

HCID 58981835

Basic information

Standard SMILES
CCC(Sc1nc(Nc2ccc(S(N)(=O)=O)nc2)ncc1Br)C(C)=O
InChIKey
RLTZXVJBMPNUFM-UHFFFAOYSA-N
Molecular formula
C14H16BrN5O3S2
Average molar mass
446.3 g/mol

Names & identifiers

Preferred name
5-[5-Bromo-4-(1-ethyl-2-oxo-propylsulfanyl)-pyrimidin-2-ylamino]-pyridine-2-sulfonic acid amide
IUPAC
5-[[5-bromo-4-(2-oxopentan-3-ylsulfanyl)pyrimidin-2-yl]amino]pyridine-2-sulfonamide

Names & synonyms

SCHEMBL5151974SCHEMBL14367841RLTZXVJBMPNUFM-UHFFFAOYSA-N5-[5-bromo-4-(1-ethyl-2-oxo-propylsulfanyl)-pyrimidin-2-ylamino]-pyridine-2-sulfonic acid amide

Database identifiers

PubChem CID
58981835

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
162 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
9
Rotatable bonds
7
Heavy atoms
25

Related reactions

3 records

Linked notes

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