4-ethyl-6-methyl-2-methylsulfanylpyrimidine-5-carboxylic acid

C9H12N2O2S — CID 90964068

IUPAC4-ethyl-6-methyl-2-methylsulfanylpyrimidine-5-carboxylic acid
SMILESCCc1nc(SC)nc(C)c1C(=O)O
InChIInChI=1S/C9H12N2O2S/c1-4-6-7(8(12)13)5(2)10-9(11-6)14-3/h4H2,1-3H3,(H,12,13)
InChIKeyVWKOLQQGLJRJNS-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.77
Rot. Bonds3

About 4-ethyl-6-methyl-2-methylsulfanylpyrimidine-5-carboxylic acid

4-ethyl-6-methyl-2-methylsulfanylpyrimidine-5-carboxylic acid (PubChem CID 90964068) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is 4-ethyl-6-methyl-2-methylsulfanylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-6-methyl-2-methylsulfanylpyrimidine-5-carboxylic acid
PubChem CID90964068
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name4-ethyl-6-methyl-2-methylsulfanylpyrimidine-5-carboxylic acid
SMILESCCc1nc(SC)nc(C)c1C(=O)O
InChIInChI=1S/C9H12N2O2S/c1-4-6-7(8(12)13)5(2)10-9(11-6)14-3/h4H2,1-3H3,(H,12,13)
InChIKeyVWKOLQQGLJRJNS-UHFFFAOYSA-N
XLogP1.77
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-methyl-2-methylsulfanylpyrimidine-5-carboxylic acid?
The IUPAC name of 4-ethyl-6-methyl-2-methylsulfanylpyrimidine-5-carboxylic acid (CID 90964068) is 4-ethyl-6-methyl-2-methylsulfanylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-ethyl-6-methyl-2-methylsulfanylpyrimidine-5-carboxylic acid?
The canonical SMILES for 4-ethyl-6-methyl-2-methylsulfanylpyrimidine-5-carboxylic acid is CCc1nc(SC)nc(C)c1C(=O)O.
What is the InChIKey of 4-ethyl-6-methyl-2-methylsulfanylpyrimidine-5-carboxylic acid?
The InChIKey is VWKOLQQGLJRJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c1-4-6-7(8(12)13)5(2)10-9(11-6)14-3/h4H2,1-3H3,(H,12,13).
What are the key properties of 4-ethyl-6-methyl-2-methylsulfanylpyrimidine-5-carboxylic acid?
4-ethyl-6-methyl-2-methylsulfanylpyrimidine-5-carboxylic acid has a molecular weight of 212.27 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-methyl-2-methylsulfanylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 90964068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).