2-(6-ethyl-2-methylsulfonylpyrimidin-4-yl)acetic acid

C9H12N2O4S — CID 83852753

IUPAC2-(6-ethyl-2-methylsulfonylpyrimidin-4-yl)acetic acid
SMILESCCc1cc(CC(=O)O)nc(S(C)(=O)=O)n1
InChIInChI=1S/C9H12N2O4S/c1-3-6-4-7(5-8(12)13)11-9(10-6)16(2,14)15/h4H,3,5H2,1-2H3,(H,12,13)
InChIKeyZTVPEYVUVFKMKN-UHFFFAOYSA-N
MW244.27 g/mol
LogP0.07
Rot. Bonds4

About 2-(6-ethyl-2-methylsulfonylpyrimidin-4-yl)acetic acid

2-(6-ethyl-2-methylsulfonylpyrimidin-4-yl)acetic acid (PubChem CID 83852753) has the molecular formula C9H12N2O4S and a molecular weight of 244.27 g/mol. Its IUPAC name is 2-(6-ethyl-2-methylsulfonylpyrimidin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(6-ethyl-2-methylsulfonylpyrimidin-4-yl)acetic acid
PubChem CID83852753
Molecular FormulaC9H12N2O4S
Molecular Weight244.27 g/mol
Exact Mass244.05
IUPAC Name2-(6-ethyl-2-methylsulfonylpyrimidin-4-yl)acetic acid
SMILESCCc1cc(CC(=O)O)nc(S(C)(=O)=O)n1
InChIInChI=1S/C9H12N2O4S/c1-3-6-4-7(5-8(12)13)11-9(10-6)16(2,14)15/h4H,3,5H2,1-2H3,(H,12,13)
InChIKeyZTVPEYVUVFKMKN-UHFFFAOYSA-N
XLogP0.07
TPSA97.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-amino-2-methylsulfonylpyrimidin-4-yl)acetic acid
CID 83852579
4-ethyl-2-methylsulfonyl-6-prop-1-ynylpyrimidine
CID 45095526
2-ethyl-6-methylsulfonylpyridine-4-carboxylic acid
CID 84692631
2-(4,6-dimethyl-2-pyridinyl)acetic acid
CID 23339817
2-[6-chloro-4-(difluoromethyl)-5-methyl-2-pyridinyl]acetic acid
CID 118991959
2-(6-amino-2-propan-2-ylpyrimidin-4-yl)acetic acid
CID 83864259
2-(6-tert-butyl-2-chloropyrimidin-4-yl)acetic acid
CID 83852529
2-(2-bromo-6-propan-2-ylpyrimidin-4-yl)acetic acid
CID 83852863
2-(6-bromo-5-ethyl-2-pyridinyl)acetic acid
CID 174767599
2-[6-(difluoromethyl)-5-methyl-4-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 118837450
2-(5-ethyl-1-propan-2-ylpyrazol-3-yl)acetic acid
CID 105450054
2-(4,5-dimethyl-2-methylsulfonylphenyl)acetic acid
CID 117357836

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethyl-2-methylsulfonylpyrimidin-4-yl)acetic acid?
The IUPAC name of 2-(6-ethyl-2-methylsulfonylpyrimidin-4-yl)acetic acid (CID 83852753) is 2-(6-ethyl-2-methylsulfonylpyrimidin-4-yl)acetic acid.
What is the SMILES notation for 2-(6-ethyl-2-methylsulfonylpyrimidin-4-yl)acetic acid?
The canonical SMILES for 2-(6-ethyl-2-methylsulfonylpyrimidin-4-yl)acetic acid is CCc1cc(CC(=O)O)nc(S(C)(=O)=O)n1.
What is the InChIKey of 2-(6-ethyl-2-methylsulfonylpyrimidin-4-yl)acetic acid?
The InChIKey is ZTVPEYVUVFKMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4S/c1-3-6-4-7(5-8(12)13)11-9(10-6)16(2,14)15/h4H,3,5H2,1-2H3,(H,12,13).
What are the key properties of 2-(6-ethyl-2-methylsulfonylpyrimidin-4-yl)acetic acid?
2-(6-ethyl-2-methylsulfonylpyrimidin-4-yl)acetic acid has a molecular weight of 244.27 g/mol, XLogP of 0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethyl-2-methylsulfonylpyrimidin-4-yl)acetic acid is sourced from PubChem (CID 83852753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).