sodium pyrimidine-2-sulfinate

C4H3N2NaO2S — CID 139269667

IUPACsodium pyrimidine-2-sulfinate
SMILESO=S([O-])c1ncccn1.[Na+]
InChIInChI=1S/C4H4N2O2S.Na/c7-9(8)4-5-2-1-3-6-4;/h1-3H,(H,7,8);/q;+1/p-1
InChIKeyYFKHXLGPONXLRC-UHFFFAOYSA-M
MW166.14 g/mol
LogP-3.28
Rot. Bonds1

About sodium pyrimidine-2-sulfinate

sodium pyrimidine-2-sulfinate (PubChem CID 139269667) has the molecular formula C4H3N2NaO2S and a molecular weight of 166.14 g/mol. Its IUPAC name is sodium pyrimidine-2-sulfinate.

Molecular Properties

Compound Namesodium pyrimidine-2-sulfinate
PubChem CID139269667
Molecular FormulaC4H3N2NaO2S
Molecular Weight166.14 g/mol
Exact Mass165.98
IUPAC Namesodium pyrimidine-2-sulfinate
SMILESO=S([O-])c1ncccn1.[Na+]
InChIInChI=1S/C4H4N2O2S.Na/c7-9(8)4-5-2-1-3-6-4;/h1-3H,(H,7,8);/q;+1/p-1
InChIKeyYFKHXLGPONXLRC-UHFFFAOYSA-M
XLogP-3.28
TPSA65.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.14
LogP ≤ 5-3.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze sodium pyrimidine-2-sulfinate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pyrimidine
CID 9260
2-Aminopyrimidine
CID 7978
2-Bromopyrimidine
CID 78345
2-Fluoropyrimidine
CID 141643
2-Chloropyrimidine
CID 74404
2-Iodopyrimidine
CID 11356200
2-(Methylsulfanyl)pyrimidine
CID 522772
1H-Pyrimidine-2,4-diselone
CID 6330300
Pyrimidine-2-sulfonamide
CID 18547005
2-Azidopyrimidine
CID 12295394
2-(Methylsulphonyl)pyrimidine
CID 13289225
2-(Methyldithio)Pyrimidine
CID 12278995

Frequently Asked Questions

What is the IUPAC name of sodium pyrimidine-2-sulfinate?
The IUPAC name of sodium pyrimidine-2-sulfinate (CID 139269667) is sodium pyrimidine-2-sulfinate.
What is the SMILES notation for sodium pyrimidine-2-sulfinate?
The canonical SMILES for sodium pyrimidine-2-sulfinate is O=S([O-])c1ncccn1.[Na+].
What is the InChIKey of sodium pyrimidine-2-sulfinate?
The InChIKey is YFKHXLGPONXLRC-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H4N2O2S.Na/c7-9(8)4-5-2-1-3-6-4;/h1-3H,(H,7,8);/q;+1/p-1.
What are the key properties of sodium pyrimidine-2-sulfinate?
sodium pyrimidine-2-sulfinate has a molecular weight of 166.14 g/mol, XLogP of -3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium pyrimidine-2-sulfinate is sourced from PubChem (CID 139269667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).