2-(2,6-diethyl-5-methylpyrimidin-4-yl)sulfanylacetic acid

C11H16N2O2S — CID 94077087

IUPAC2-(2,6-diethyl-5-methylpyrimidin-4-yl)sulfanylacetic acid
SMILESCCc1nc(CC)c(C)c(SCC(=O)O)n1
InChIInChI=1S/C11H16N2O2S/c1-4-8-7(3)11(16-6-10(14)15)13-9(5-2)12-8/h4-6H2,1-3H3,(H,14,15)
InChIKeyBERYIVSINWVVHN-UHFFFAOYSA-N
MW240.33 g/mol
LogP2.09
Rot. Bonds5

About 2-(2,6-diethyl-5-methylpyrimidin-4-yl)sulfanylacetic acid

2-(2,6-diethyl-5-methylpyrimidin-4-yl)sulfanylacetic acid (PubChem CID 94077087) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-(2,6-diethyl-5-methylpyrimidin-4-yl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(2,6-diethyl-5-methylpyrimidin-4-yl)sulfanylacetic acid
PubChem CID94077087
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name2-(2,6-diethyl-5-methylpyrimidin-4-yl)sulfanylacetic acid
SMILESCCc1nc(CC)c(C)c(SCC(=O)O)n1
InChIInChI=1S/C11H16N2O2S/c1-4-8-7(3)11(16-6-10(14)15)13-9(5-2)12-8/h4-6H2,1-3H3,(H,14,15)
InChIKeyBERYIVSINWVVHN-UHFFFAOYSA-N
XLogP2.09
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,6-triethyl-5-methylpyrimidine
CID 14199148
methyl 2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)sulfanylacetate
CID 80978520
2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetic acid
CID 21403843
2-(carboxymethylsulfanyl)-6-methylpyridine-3-carboxylic acid
CID 15732980
2-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfanyl]acetic acid
CID 12588241
4-[2-(carbamoylamino)-2-oxoethyl]sulfanyl-2-ethyl-6-methylpyrimidine-5-carboxylic acid
CID 43514403
2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetic acid
CID 695730
2-(3,6-dimethylpyrazin-2-yl)sulfanylacetic acid
CID 60631564
2-(3-ethyl-8-methylquinolin-2-yl)sulfanylacetic acid
CID 855595
methyl 2-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate
CID 1463190
2-(2-amino-5-chloro-6-methylpyrimidin-4-yl)sulfanylacetic acid
CID 3728937
4-amino-2,6-diethyl-5-methylpyridine-3-carboxylic acid
CID 68536975

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diethyl-5-methylpyrimidin-4-yl)sulfanylacetic acid?
The IUPAC name of 2-(2,6-diethyl-5-methylpyrimidin-4-yl)sulfanylacetic acid (CID 94077087) is 2-(2,6-diethyl-5-methylpyrimidin-4-yl)sulfanylacetic acid.
What is the SMILES notation for 2-(2,6-diethyl-5-methylpyrimidin-4-yl)sulfanylacetic acid?
The canonical SMILES for 2-(2,6-diethyl-5-methylpyrimidin-4-yl)sulfanylacetic acid is CCc1nc(CC)c(C)c(SCC(=O)O)n1.
What is the InChIKey of 2-(2,6-diethyl-5-methylpyrimidin-4-yl)sulfanylacetic acid?
The InChIKey is BERYIVSINWVVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-4-8-7(3)11(16-6-10(14)15)13-9(5-2)12-8/h4-6H2,1-3H3,(H,14,15).
What are the key properties of 2-(2,6-diethyl-5-methylpyrimidin-4-yl)sulfanylacetic acid?
2-(2,6-diethyl-5-methylpyrimidin-4-yl)sulfanylacetic acid has a molecular weight of 240.33 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-diethyl-5-methylpyrimidin-4-yl)sulfanylacetic acid is sourced from PubChem (CID 94077087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).