3-(4-methylpyrimidin-2-yl)sulfanylpyrazine-2-carboxylic acid

C10H8N4O2S — CID 62701788

IUPAC3-(4-methylpyrimidin-2-yl)sulfanylpyrazine-2-carboxylic acid
SMILESCc1ccnc(Sc2nccnc2C(=O)O)n1
InChIInChI=1S/C10H8N4O2S/c1-6-2-3-13-10(14-6)17-8-7(9(15)16)11-4-5-12-8/h2-5H,1H3,(H,15,16)
InChIKeyXXZZJNZOGPBEEM-UHFFFAOYSA-N
MW248.27 g/mol
LogP1.42
Rot. Bonds3

About 3-(4-methylpyrimidin-2-yl)sulfanylpyrazine-2-carboxylic acid

3-(4-methylpyrimidin-2-yl)sulfanylpyrazine-2-carboxylic acid (PubChem CID 62701788) has the molecular formula C10H8N4O2S and a molecular weight of 248.27 g/mol. Its IUPAC name is 3-(4-methylpyrimidin-2-yl)sulfanylpyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-(4-methylpyrimidin-2-yl)sulfanylpyrazine-2-carboxylic acid
PubChem CID62701788
Molecular FormulaC10H8N4O2S
Molecular Weight248.27 g/mol
Exact Mass248.04
IUPAC Name3-(4-methylpyrimidin-2-yl)sulfanylpyrazine-2-carboxylic acid
SMILESCc1ccnc(Sc2nccnc2C(=O)O)n1
InChIInChI=1S/C10H8N4O2S/c1-6-2-3-13-10(14-6)17-8-7(9(15)16)11-4-5-12-8/h2-5H,1H3,(H,15,16)
InChIKeyXXZZJNZOGPBEEM-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 3-(4-methylpyrimidin-2-yl)sulfanylpyrazine-2-carboxylic acid?
The IUPAC name of 3-(4-methylpyrimidin-2-yl)sulfanylpyrazine-2-carboxylic acid (CID 62701788) is 3-(4-methylpyrimidin-2-yl)sulfanylpyrazine-2-carboxylic acid.
What is the SMILES notation for 3-(4-methylpyrimidin-2-yl)sulfanylpyrazine-2-carboxylic acid?
The canonical SMILES for 3-(4-methylpyrimidin-2-yl)sulfanylpyrazine-2-carboxylic acid is Cc1ccnc(Sc2nccnc2C(=O)O)n1.
What is the InChIKey of 3-(4-methylpyrimidin-2-yl)sulfanylpyrazine-2-carboxylic acid?
The InChIKey is XXZZJNZOGPBEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O2S/c1-6-2-3-13-10(14-6)17-8-7(9(15)16)11-4-5-12-8/h2-5H,1H3,(H,15,16).
What are the key properties of 3-(4-methylpyrimidin-2-yl)sulfanylpyrazine-2-carboxylic acid?
3-(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 3-(4-methylpyrimidin-2-yl)sulfanylpyrazine-2-carboxylic acid is sourced from PubChem (CID 62701788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).