2-ethyl-4-ethylsulfanyl-6-methylpyrimidine-5-carboxylic acid

C10H14N2O2S — CID 16773779

IUPAC2-ethyl-4-ethylsulfanyl-6-methylpyrimidine-5-carboxylic acid
SMILESCCSc1nc(CC)nc(C)c1C(=O)O
InChIInChI=1S/C10H14N2O2S/c1-4-7-11-6(3)8(10(13)14)9(12-7)15-5-2/h4-5H2,1-3H3,(H,13,14)
InChIKeyWJGLZKRQQPLIIX-UHFFFAOYSA-N
MW226.30 g/mol
LogP2.16
Rot. Bonds4

About 2-ethyl-4-ethylsulfanyl-6-methylpyrimidine-5-carboxylic acid

2-ethyl-4-ethylsulfanyl-6-methylpyrimidine-5-carboxylic acid (PubChem CID 16773779) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 2-ethyl-4-ethylsulfanyl-6-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-4-ethylsulfanyl-6-methylpyrimidine-5-carboxylic acid
PubChem CID16773779
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name2-ethyl-4-ethylsulfanyl-6-methylpyrimidine-5-carboxylic acid
SMILESCCSc1nc(CC)nc(C)c1C(=O)O
InChIInChI=1S/C10H14N2O2S/c1-4-7-11-6(3)8(10(13)14)9(12-7)15-5-2/h4-5H2,1-3H3,(H,13,14)
InChIKeyWJGLZKRQQPLIIX-UHFFFAOYSA-N
XLogP2.16
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-ethylsulfanyl-6-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-ethyl-4-ethylsulfanyl-6-methylpyrimidine-5-carboxylic acid (CID 16773779) is 2-ethyl-4-ethylsulfanyl-6-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-ethyl-4-ethylsulfanyl-6-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-ethyl-4-ethylsulfanyl-6-methylpyrimidine-5-carboxylic acid is CCSc1nc(CC)nc(C)c1C(=O)O.
What is the InChIKey of 2-ethyl-4-ethylsulfanyl-6-methylpyrimidine-5-carboxylic acid?
The InChIKey is WJGLZKRQQPLIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-4-7-11-6(3)8(10(13)14)9(12-7)15-5-2/h4-5H2,1-3H3,(H,13,14).
What are the key properties of 2-ethyl-4-ethylsulfanyl-6-methylpyrimidine-5-carboxylic acid?
2-ethyl-4-ethylsulfanyl-6-methylpyrimidine-5-carboxylic acid has a molecular weight of 226.30 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-ethylsulfanyl-6-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 16773779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).