imidazo[1,2-a]pyrimidine-2-sulfinate

C6H4N3O2S- — CID 57039659

IUPACimidazo[1,2-a]pyrimidine-2-sulfinate
SMILESO=S([O-])c1cn2cccnc2n1
InChIInChI=1S/C6H5N3O2S/c10-12(11)5-4-9-3-1-2-7-6(9)8-5/h1-4H,(H,10,11)/p-1
InChIKeyMAABRIYWJIRLDM-UHFFFAOYSA-M
MW182.18 g/mol
LogP-0.03
Rot. Bonds1

About imidazo[1,2-a]pyrimidine-2-sulfinate

imidazo[1,2-a]pyrimidine-2-sulfinate (PubChem CID 57039659) has the molecular formula C6H4N3O2S- and a molecular weight of 182.18 g/mol. Its IUPAC name is imidazo[1,2-a]pyrimidine-2-sulfinate.

Molecular Properties

Compound Nameimidazo[1,2-a]pyrimidine-2-sulfinate
PubChem CID57039659
Molecular FormulaC6H4N3O2S-
Molecular Weight182.18 g/mol
Exact Mass182.00
IUPAC Nameimidazo[1,2-a]pyrimidine-2-sulfinate
SMILESO=S([O-])c1cn2cccnc2n1
InChIInChI=1S/C6H5N3O2S/c10-12(11)5-4-9-3-1-2-7-6(9)8-5/h1-4H,(H,10,11)/p-1
InChIKeyMAABRIYWJIRLDM-UHFFFAOYSA-M
XLogP-0.03
TPSA70.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of imidazo[1,2-a]pyrimidine-2-sulfinate?
The IUPAC name of imidazo[1,2-a]pyrimidine-2-sulfinate (CID 57039659) is imidazo[1,2-a]pyrimidine-2-sulfinate.
What is the SMILES notation for imidazo[1,2-a]pyrimidine-2-sulfinate?
The canonical SMILES for imidazo[1,2-a]pyrimidine-2-sulfinate is O=S([O-])c1cn2cccnc2n1.
What is the InChIKey of imidazo[1,2-a]pyrimidine-2-sulfinate?
The InChIKey is MAABRIYWJIRLDM-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H5N3O2S/c10-12(11)5-4-9-3-1-2-7-6(9)8-5/h1-4H,(H,10,11)/p-1.
What are the key properties of imidazo[1,2-a]pyrimidine-2-sulfinate?
imidazo[1,2-a]pyrimidine-2-sulfinate has a molecular weight of 182.18 g/mol, XLogP of -0.03, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,2-a]pyrimidine-2-sulfinate is sourced from PubChem (CID 57039659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).