6-methyl-2-methylsulfanylpyrimidine-4-carboxylic acid

C7H8N2O2S — CID 39870544

IUPAC6-methyl-2-methylsulfanylpyrimidine-4-carboxylic acid
SMILESCSc1nc(C)cc(C(=O)O)n1
InChIInChI=1S/C7H8N2O2S/c1-4-3-5(6(10)11)9-7(8-4)12-2/h3H,1-2H3,(H,10,11)
InChIKeyIKUATPPOUXOXJY-UHFFFAOYSA-N
MW184.22 g/mol
LogP1.21
Rot. Bonds2

About 6-methyl-2-methylsulfanylpyrimidine-4-carboxylic acid

6-methyl-2-methylsulfanylpyrimidine-4-carboxylic acid (PubChem CID 39870544) has the molecular formula C7H8N2O2S and a molecular weight of 184.22 g/mol. Its IUPAC name is 6-methyl-2-methylsulfanylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-methylsulfanylpyrimidine-4-carboxylic acid
PubChem CID39870544
Molecular FormulaC7H8N2O2S
Molecular Weight184.22 g/mol
Exact Mass184.03
IUPAC Name6-methyl-2-methylsulfanylpyrimidine-4-carboxylic acid
SMILESCSc1nc(C)cc(C(=O)O)n1
InChIInChI=1S/C7H8N2O2S/c1-4-3-5(6(10)11)9-7(8-4)12-2/h3H,1-2H3,(H,10,11)
InChIKeyIKUATPPOUXOXJY-UHFFFAOYSA-N
XLogP1.21
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-methyl-2-methylsulfanylpyrimidine-4-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-methylsulfanylpyrimidine-4-carboxylic acid?
The IUPAC name of 6-methyl-2-methylsulfanylpyrimidine-4-carboxylic acid (CID 39870544) is 6-methyl-2-methylsulfanylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-methyl-2-methylsulfanylpyrimidine-4-carboxylic acid?
The canonical SMILES for 6-methyl-2-methylsulfanylpyrimidine-4-carboxylic acid is CSc1nc(C)cc(C(=O)O)n1.
What is the InChIKey of 6-methyl-2-methylsulfanylpyrimidine-4-carboxylic acid?
The InChIKey is IKUATPPOUXOXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2S/c1-4-3-5(6(10)11)9-7(8-4)12-2/h3H,1-2H3,(H,10,11).
What are the key properties of 6-methyl-2-methylsulfanylpyrimidine-4-carboxylic acid?
6-methyl-2-methylsulfanylpyrimidine-4-carboxylic acid has a molecular weight of 184.22 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-methylsulfanylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 39870544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).