disodium;hydride;4-methoxypyrimidine-2-sulfonic acid

C5H8N2Na2O4S — CID 175577325

IUPACdisodium;hydride;4-methoxypyrimidine-2-sulfonic acid
SMILESCOc1ccnc(S(=O)(=O)O)n1.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C5H6N2O4S.2Na.2H/c1-11-4-2-3-6-5(7-4)12(8,9)10;;;;/h2-3H,1H3,(H,8,9,10);;;;/q;2*+1;2*-1
InChIKeyLQYOGUJDPYCGDF-UHFFFAOYSA-N
MW238.18 g/mol
LogP-6.04
Rot. Bonds2

About disodium;hydride;4-methoxypyrimidine-2-sulfonic acid

disodium;hydride;4-methoxypyrimidine-2-sulfonic acid (PubChem CID 175577325) has the molecular formula C5H8N2Na2O4S and a molecular weight of 238.18 g/mol. Its IUPAC name is disodium;hydride;4-methoxypyrimidine-2-sulfonic acid.

Molecular Properties

Compound Namedisodium;hydride;4-methoxypyrimidine-2-sulfonic acid
PubChem CID175577325
Molecular FormulaC5H8N2Na2O4S
Molecular Weight238.18 g/mol
Exact Mass238.00
IUPAC Namedisodium;hydride;4-methoxypyrimidine-2-sulfonic acid
SMILESCOc1ccnc(S(=O)(=O)O)n1.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C5H6N2O4S.2Na.2H/c1-11-4-2-3-6-5(7-4)12(8,9)10;;;;/h2-3H,1H3,(H,8,9,10);;;;/q;2*+1;2*-1
InChIKeyLQYOGUJDPYCGDF-UHFFFAOYSA-N
XLogP-6.04
TPSA89.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.18
LogP ≤ 5-6.04
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 disodium;hydride;4-methoxypyrimidine-2-sulfonic acid?
The IUPAC name of disodium;hydride;4-methoxypyrimidine-2-sulfonic acid (CID 175577325) is disodium;hydride;4-methoxypyrimidine-2-sulfonic acid.
What is the SMILES notation for disodium;hydride;4-methoxypyrimidine-2-sulfonic acid?
The canonical SMILES for disodium;hydride;4-methoxypyrimidine-2-sulfonic acid is COc1ccnc(S(=O)(=O)O)n1.[H-].[H-].[Na+].[Na+].
What is the InChIKey of disodium;hydride;4-methoxypyrimidine-2-sulfonic acid?
The InChIKey is LQYOGUJDPYCGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O4S.2Na.2H/c1-11-4-2-3-6-5(7-4)12(8,9)10;;;;/h2-3H,1H3,(H,8,9,10);;;;/q;2*+1;2*-1.
What are the key properties of disodium;hydride;4-methoxypyrimidine-2-sulfonic acid?
disodium;hydride;4-methoxypyrimidine-2-sulfonic acid has a molecular weight of 238.18 g/mol, XLogP of -6.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;hydride;4-methoxypyrimidine-2-sulfonic acid is sourced from PubChem (CID 175577325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).