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

C8H10N2O3S — CID 598396

IUPAC2-(4-methoxy-6-methylpyrimidin-2-yl)sulfanylacetic acid
SMILESCOc1cc(C)nc(SCC(=O)O)n1
InChIInChI=1S/C8H10N2O3S/c1-5-3-6(13-2)10-8(9-5)14-4-7(11)12/h3H,4H2,1-2H3,(H,11,12)
InChIKeyVJWTZMALUAVWFP-UHFFFAOYSA-N
MW214.25 g/mol
LogP0.97
Rot. Bonds4

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

2-(4-methoxy-6-methylpyrimidin-2-yl)sulfanylacetic acid (PubChem CID 598396) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is 2-(4-methoxy-6-methylpyrimidin-2-yl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(4-methoxy-6-methylpyrimidin-2-yl)sulfanylacetic acid
PubChem CID598396
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC Name2-(4-methoxy-6-methylpyrimidin-2-yl)sulfanylacetic acid
SMILESCOc1cc(C)nc(SCC(=O)O)n1
InChIInChI=1S/C8H10N2O3S/c1-5-3-6(13-2)10-8(9-5)14-4-7(11)12/h3H,4H2,1-2H3,(H,11,12)
InChIKeyVJWTZMALUAVWFP-UHFFFAOYSA-N
XLogP0.97
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-6-methylpyrimidin-2-yl)sulfanylacetic acid?
The IUPAC name of 2-(4-methoxy-6-methylpyrimidin-2-yl)sulfanylacetic acid (CID 598396) is 2-(4-methoxy-6-methylpyrimidin-2-yl)sulfanylacetic acid.
What is the SMILES notation for 2-(4-methoxy-6-methylpyrimidin-2-yl)sulfanylacetic acid?
The canonical SMILES for 2-(4-methoxy-6-methylpyrimidin-2-yl)sulfanylacetic acid is COc1cc(C)nc(SCC(=O)O)n1.
What is the InChIKey of 2-(4-methoxy-6-methylpyrimidin-2-yl)sulfanylacetic acid?
The InChIKey is VJWTZMALUAVWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S/c1-5-3-6(13-2)10-8(9-5)14-4-7(11)12/h3H,4H2,1-2H3,(H,11,12).
What are the key properties of 2-(4-methoxy-6-methylpyrimidin-2-yl)sulfanylacetic acid?
2-(4-methoxy-6-methylpyrimidin-2-yl)sulfanylacetic acid has a molecular weight of 214.25 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-6-methylpyrimidin-2-yl)sulfanylacetic acid is sourced from PubChem (CID 598396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).