2-(4-bromo-6-methylpyrimidin-2-yl)sulfanylacetic acid

C7H7BrN2O2S — CID 87823965

IUPAC2-(4-bromo-6-methylpyrimidin-2-yl)sulfanylacetic acid
SMILESCc1cc(Br)nc(SCC(=O)O)n1
InChIInChI=1S/C7H7BrN2O2S/c1-4-2-5(8)10-7(9-4)13-3-6(11)12/h2H,3H2,1H3,(H,11,12)
InChIKeyHYLDEUKUAOXEQF-UHFFFAOYSA-N
MW263.12 g/mol
LogP1.72
Rot. Bonds3

About 2-(4-bromo-6-methylpyrimidin-2-yl)sulfanylacetic acid

2-(4-bromo-6-methylpyrimidin-2-yl)sulfanylacetic acid (PubChem CID 87823965) has the molecular formula C7H7BrN2O2S and a molecular weight of 263.12 g/mol. Its IUPAC name is 2-(4-bromo-6-methylpyrimidin-2-yl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(4-bromo-6-methylpyrimidin-2-yl)sulfanylacetic acid
PubChem CID87823965
Molecular FormulaC7H7BrN2O2S
Molecular Weight263.12 g/mol
Exact Mass261.94
IUPAC Name2-(4-bromo-6-methylpyrimidin-2-yl)sulfanylacetic acid
SMILESCc1cc(Br)nc(SCC(=O)O)n1
InChIInChI=1S/C7H7BrN2O2S/c1-4-2-5(8)10-7(9-4)13-3-6(11)12/h2H,3H2,1H3,(H,11,12)
InChIKeyHYLDEUKUAOXEQF-UHFFFAOYSA-N
XLogP1.72
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.12
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-6-methylpyrimidin-2-yl)sulfanylacetic acid?
The IUPAC name of 2-(4-bromo-6-methylpyrimidin-2-yl)sulfanylacetic acid (CID 87823965) is 2-(4-bromo-6-methylpyrimidin-2-yl)sulfanylacetic acid.
What is the SMILES notation for 2-(4-bromo-6-methylpyrimidin-2-yl)sulfanylacetic acid?
The canonical SMILES for 2-(4-bromo-6-methylpyrimidin-2-yl)sulfanylacetic acid is Cc1cc(Br)nc(SCC(=O)O)n1.
What is the InChIKey of 2-(4-bromo-6-methylpyrimidin-2-yl)sulfanylacetic acid?
The InChIKey is HYLDEUKUAOXEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2O2S/c1-4-2-5(8)10-7(9-4)13-3-6(11)12/h2H,3H2,1H3,(H,11,12).
What are the key properties of 2-(4-bromo-6-methylpyrimidin-2-yl)sulfanylacetic acid?
2-(4-bromo-6-methylpyrimidin-2-yl)sulfanylacetic acid has a molecular weight of 263.12 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-6-methylpyrimidin-2-yl)sulfanylacetic acid is sourced from PubChem (CID 87823965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).