imidazo[1,2-a]pyrimidine-2-sulfonic acid

C6H5N3O3S — CID 21277613

IUPACimidazo[1,2-a]pyrimidine-2-sulfonic acid
SMILESO=S(=O)(O)c1cn2cccnc2n1
InChIInChI=1S/C6H5N3O3S/c10-13(11,12)5-4-9-3-1-2-7-6(9)8-5/h1-4H,(H,10,11,12)
InChIKeyVGRZWAMSBUSERY-UHFFFAOYSA-N
MW199.19 g/mol
LogP-0.02
Rot. Bonds1

About imidazo[1,2-a]pyrimidine-2-sulfonic acid

imidazo[1,2-a]pyrimidine-2-sulfonic acid (PubChem CID 21277613) has the molecular formula C6H5N3O3S and a molecular weight of 199.19 g/mol. Its IUPAC name is imidazo[1,2-a]pyrimidine-2-sulfonic acid.

Molecular Properties

Compound Nameimidazo[1,2-a]pyrimidine-2-sulfonic acid
PubChem CID21277613
Molecular FormulaC6H5N3O3S
Molecular Weight199.19 g/mol
Exact Mass199.01
IUPAC Nameimidazo[1,2-a]pyrimidine-2-sulfonic acid
SMILESO=S(=O)(O)c1cn2cccnc2n1
InChIInChI=1S/C6H5N3O3S/c10-13(11,12)5-4-9-3-1-2-7-6(9)8-5/h1-4H,(H,10,11,12)
InChIKeyVGRZWAMSBUSERY-UHFFFAOYSA-N
XLogP-0.02
TPSA84.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.19
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of imidazo[1,2-a]pyrimidine-2-sulfonic acid?
The IUPAC name of imidazo[1,2-a]pyrimidine-2-sulfonic acid (CID 21277613) is imidazo[1,2-a]pyrimidine-2-sulfonic acid.
What is the SMILES notation for imidazo[1,2-a]pyrimidine-2-sulfonic acid?
The canonical SMILES for imidazo[1,2-a]pyrimidine-2-sulfonic acid is O=S(=O)(O)c1cn2cccnc2n1.
What is the InChIKey of imidazo[1,2-a]pyrimidine-2-sulfonic acid?
The InChIKey is VGRZWAMSBUSERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O3S/c10-13(11,12)5-4-9-3-1-2-7-6(9)8-5/h1-4H,(H,10,11,12).
What are the key properties of imidazo[1,2-a]pyrimidine-2-sulfonic acid?
imidazo[1,2-a]pyrimidine-2-sulfonic acid has a molecular weight of 199.19 g/mol, XLogP of -0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,2-a]pyrimidine-2-sulfonic acid is sourced from PubChem (CID 21277613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).