4-methyl-2-methylsulfinylpyrimidine-5-carboxylic acid

C7H8N2O3S — CID 91303155

IUPAC4-methyl-2-methylsulfinylpyrimidine-5-carboxylic acid
SMILESCc1nc(S(C)=O)ncc1C(=O)O
InChIInChI=1S/C7H8N2O3S/c1-4-5(6(10)11)3-8-7(9-4)13(2)12/h3H,1-2H3,(H,10,11)
InChIKeyVRPMCCHBTSMNBW-UHFFFAOYSA-N
MW200.22 g/mol
LogP0.22
Rot. Bonds2

About 4-methyl-2-methylsulfinylpyrimidine-5-carboxylic acid

4-methyl-2-methylsulfinylpyrimidine-5-carboxylic acid (PubChem CID 91303155) has the molecular formula C7H8N2O3S and a molecular weight of 200.22 g/mol. Its IUPAC name is 4-methyl-2-methylsulfinylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-methylsulfinylpyrimidine-5-carboxylic acid
PubChem CID91303155
Molecular FormulaC7H8N2O3S
Molecular Weight200.22 g/mol
Exact Mass200.03
IUPAC Name4-methyl-2-methylsulfinylpyrimidine-5-carboxylic acid
SMILESCc1nc(S(C)=O)ncc1C(=O)O
InChIInChI=1S/C7H8N2O3S/c1-4-5(6(10)11)3-8-7(9-4)13(2)12/h3H,1-2H3,(H,10,11)
InChIKeyVRPMCCHBTSMNBW-UHFFFAOYSA-N
XLogP0.22
TPSA80.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.22
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-methylsulfinylpyrimidine-5-carboxylic acid?
The IUPAC name of 4-methyl-2-methylsulfinylpyrimidine-5-carboxylic acid (CID 91303155) is 4-methyl-2-methylsulfinylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-methylsulfinylpyrimidine-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-methylsulfinylpyrimidine-5-carboxylic acid is Cc1nc(S(C)=O)ncc1C(=O)O.
What is the InChIKey of 4-methyl-2-methylsulfinylpyrimidine-5-carboxylic acid?
The InChIKey is VRPMCCHBTSMNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3S/c1-4-5(6(10)11)3-8-7(9-4)13(2)12/h3H,1-2H3,(H,10,11).
What are the key properties of 4-methyl-2-methylsulfinylpyrimidine-5-carboxylic acid?
4-methyl-2-methylsulfinylpyrimidine-5-carboxylic acid has a molecular weight of 200.22 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-methylsulfinylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 91303155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).