methyl hydrogen sulfate;pyrimidine

C5H8N2O4S — CID 173117668

IUPACmethyl hydrogen sulfate;pyrimidine
SMILESCOS(=O)(=O)O.c1cncnc1
InChIInChI=1S/C4H4N2.CH4O4S/c1-2-5-4-6-3-1;1-5-6(2,3)4/h1-4H;1H3,(H,2,3,4)
InChIKeyGOIKXGFPCJOMFO-UHFFFAOYSA-N
MW192.20 g/mol
LogP-0.09
Rot. Bonds1

About methyl hydrogen sulfate;pyrimidine

methyl hydrogen sulfate;pyrimidine (PubChem CID 173117668) has the molecular formula C5H8N2O4S and a molecular weight of 192.20 g/mol. Its IUPAC name is methyl hydrogen sulfate;pyrimidine.

Molecular Properties

Compound Namemethyl hydrogen sulfate;pyrimidine
PubChem CID173117668
Molecular FormulaC5H8N2O4S
Molecular Weight192.20 g/mol
Exact Mass192.02
IUPAC Namemethyl hydrogen sulfate;pyrimidine
SMILESCOS(=O)(=O)O.c1cncnc1
InChIInChI=1S/C4H4N2.CH4O4S/c1-2-5-4-6-3-1;1-5-6(2,3)4/h1-4H;1H3,(H,2,3,4)
InChIKeyGOIKXGFPCJOMFO-UHFFFAOYSA-N
XLogP-0.09
TPSA89.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.20
LogP ≤ 5-0.09
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 methyl hydrogen sulfate;pyrimidine?
The IUPAC name of methyl hydrogen sulfate;pyrimidine (CID 173117668) is methyl hydrogen sulfate;pyrimidine.
What is the SMILES notation for methyl hydrogen sulfate;pyrimidine?
The canonical SMILES for methyl hydrogen sulfate;pyrimidine is COS(=O)(=O)O.c1cncnc1.
What is the InChIKey of methyl hydrogen sulfate;pyrimidine?
The InChIKey is GOIKXGFPCJOMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2.CH4O4S/c1-2-5-4-6-3-1;1-5-6(2,3)4/h1-4H;1H3,(H,2,3,4).
What are the key properties of methyl hydrogen sulfate;pyrimidine?
methyl hydrogen sulfate;pyrimidine has a molecular weight of 192.20 g/mol, XLogP of -0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl hydrogen sulfate;pyrimidine is sourced from PubChem (CID 173117668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).