5-Amino-2-(methylsulfonyl)pyrimidine-4-carboxylic acid

HCID 71748522

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Basic information

CAS: 1379324-43-2
Standard SMILES: CS(=O)(=O)c1ncc(N)c(C(=O)O)n1
InChIKey: SCLMELNCSVQSCK-UHFFFAOYSA-N
Molecular formula: C6H7N3O4S
Average molar mass: 217.21 g/mol
Monoisotopic mass: 217.01572689

Names & identifiers

Preferred name: 5-Amino-2-(methylsulfonyl)pyrimidine-4-carboxylic acid
IUPAC: 5-amino-2-methylsulfonylpyrimidine-4-carboxylic acid

Names & synonyms

5-Amino-2-(methylsulfonyl)pyrimidine-4-carboxylic acid1379324-43-2SCHEMBL27320745DTXSID608576185-Amino-2-(methylsulfonyl)pyrimidine-4-carboxylicacid5-Amino-2-(methanesulfonyl)pyrimidine-4-carboxylic acid

Database identifiers

CAS: 1379324-43-2
PubChem CID: 71748522
DTXSID: DTXSID60857618

Properties

Computed structural properties

XLogP: -0.5
Topological polar surface area: 132 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 322

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