6-(4-methylpyrimidin-2-yl)sulfanylpyrazine-2-carboxylic acid

C10H8N4O2S — CID 66451570

IUPAC6-(4-methylpyrimidin-2-yl)sulfanylpyrazine-2-carboxylic acid
SMILESCc1ccnc(Sc2cncc(C(=O)O)n2)n1
InChIInChI=1S/C10H8N4O2S/c1-6-2-3-12-10(13-6)17-8-5-11-4-7(14-8)9(15)16/h2-5H,1H3,(H,15,16)
InChIKeyXHLYMTJQNQNWBM-UHFFFAOYSA-N
MW248.27 g/mol
LogP1.42
Rot. Bonds3

About 6-(4-methylpyrimidin-2-yl)sulfanylpyrazine-2-carboxylic acid

6-(4-methylpyrimidin-2-yl)sulfanylpyrazine-2-carboxylic acid (PubChem CID 66451570) has the molecular formula C10H8N4O2S and a molecular weight of 248.27 g/mol. Its IUPAC name is 6-(4-methylpyrimidin-2-yl)sulfanylpyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-(4-methylpyrimidin-2-yl)sulfanylpyrazine-2-carboxylic acid
PubChem CID66451570
Molecular FormulaC10H8N4O2S
Molecular Weight248.27 g/mol
Exact Mass248.04
IUPAC Name6-(4-methylpyrimidin-2-yl)sulfanylpyrazine-2-carboxylic acid
SMILESCc1ccnc(Sc2cncc(C(=O)O)n2)n1
InChIInChI=1S/C10H8N4O2S/c1-6-2-3-12-10(13-6)17-8-5-11-4-7(14-8)9(15)16/h2-5H,1H3,(H,15,16)
InChIKeyXHLYMTJQNQNWBM-UHFFFAOYSA-N
XLogP1.42
TPSA88.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpyrimidin-2-yl)sulfanylpyrazine-2-carboxylic acid?
The IUPAC name of 6-(4-methylpyrimidin-2-yl)sulfanylpyrazine-2-carboxylic acid (CID 66451570) is 6-(4-methylpyrimidin-2-yl)sulfanylpyrazine-2-carboxylic acid.
What is the SMILES notation for 6-(4-methylpyrimidin-2-yl)sulfanylpyrazine-2-carboxylic acid?
The canonical SMILES for 6-(4-methylpyrimidin-2-yl)sulfanylpyrazine-2-carboxylic acid is Cc1ccnc(Sc2cncc(C(=O)O)n2)n1.
What is the InChIKey of 6-(4-methylpyrimidin-2-yl)sulfanylpyrazine-2-carboxylic acid?
The InChIKey is XHLYMTJQNQNWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O2S/c1-6-2-3-12-10(13-6)17-8-5-11-4-7(14-8)9(15)16/h2-5H,1H3,(H,15,16).
What are the key properties of 6-(4-methylpyrimidin-2-yl)sulfanylpyrazine-2-carboxylic acid?
6-(4-methylpyrimidin-2-yl)sulfanylpyrazine-2-carboxylic acid has a molecular weight of 248.27 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpyrimidin-2-yl)sulfanylpyrazine-2-carboxylic acid is sourced from PubChem (CID 66451570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).