4,5-Diamino-2-(propoxyphenyl)pyrimidin-6-one sulphate

HCID 136364569
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCOc1ccccc1-c1nc(N)c(N)c(=O)[nH]1.O=S(=O)(O)O
InChIKey
ACGAQANQYJWTNA-UHFFFAOYSA-N
Molecular formula
C13H18N4O6S
Average molar mass
358.37 g/mol
Monoisotopic mass
358.09470548

Names & identifiers

Preferred name
4,5-Diamino-2-(propoxyphenyl)pyrimidin-6-one sulphate
IUPAC
4,5-diamino-2-(2-propoxyphenyl)-1H-pyrimidin-6-one;sulfuric acid

Names & synonyms

SCHEMBL7718120ACGAQANQYJWTNA-UHFFFAOYSA-N4,5-diamino-2-(propoxyphenyl)pyrimidin-6-one sulphate4,5-diamino-2-(2-propoxyphenyl)-pyrimidin-6-one sulphate4,5-diamino-2-(2-propoxyphenyl)pyrimidin-6-one sulphate

Database identifiers

PubChem CID
136364569

Properties

Computed structural properties

Topological polar surface area
186 Ų
Hydrogen bond donors
5
Hydrogen bond acceptors
9
Rotatable bonds
4
Heavy atoms
24

Related reactions

15 records
New reaction record

Compound notes

Loading…