3-(4,6-dimethylpyrimidin-2-yl)sulfanylpyrazine-2-carboxylic acid

C11H10N4O2S — CID 55106477

IUPAC3-(4,6-dimethylpyrimidin-2-yl)sulfanylpyrazine-2-carboxylic acid
SMILESCc1cc(C)nc(Sc2nccnc2C(=O)O)n1
InChIInChI=1S/C11H10N4O2S/c1-6-5-7(2)15-11(14-6)18-9-8(10(16)17)12-3-4-13-9/h3-5H,1-2H3,(H,16,17)
InChIKeyJPKQXPCZBHTDQC-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.73
Rot. Bonds3

About 3-(4,6-dimethylpyrimidin-2-yl)sulfanylpyrazine-2-carboxylic acid

3-(4,6-dimethylpyrimidin-2-yl)sulfanylpyrazine-2-carboxylic acid (PubChem CID 55106477) has the molecular formula C11H10N4O2S and a molecular weight of 262.29 g/mol. Its IUPAC name is 3-(4,6-dimethylpyrimidin-2-yl)sulfanylpyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-(4,6-dimethylpyrimidin-2-yl)sulfanylpyrazine-2-carboxylic acid
PubChem CID55106477
Molecular FormulaC11H10N4O2S
Molecular Weight262.29 g/mol
Exact Mass262.05
IUPAC Name3-(4,6-dimethylpyrimidin-2-yl)sulfanylpyrazine-2-carboxylic acid
SMILESCc1cc(C)nc(Sc2nccnc2C(=O)O)n1
InChIInChI=1S/C11H10N4O2S/c1-6-5-7(2)15-11(14-6)18-9-8(10(16)17)12-3-4-13-9/h3-5H,1-2H3,(H,16,17)
InChIKeyJPKQXPCZBHTDQC-UHFFFAOYSA-N
XLogP1.73
TPSA88.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethylpyrimidin-2-yl)sulfanylpyrazine-2-carboxylic acid?
The IUPAC name of 3-(4,6-dimethylpyrimidin-2-yl)sulfanylpyrazine-2-carboxylic acid (CID 55106477) is 3-(4,6-dimethylpyrimidin-2-yl)sulfanylpyrazine-2-carboxylic acid.
What is the SMILES notation for 3-(4,6-dimethylpyrimidin-2-yl)sulfanylpyrazine-2-carboxylic acid?
The canonical SMILES for 3-(4,6-dimethylpyrimidin-2-yl)sulfanylpyrazine-2-carboxylic acid is Cc1cc(C)nc(Sc2nccnc2C(=O)O)n1.
What is the InChIKey of 3-(4,6-dimethylpyrimidin-2-yl)sulfanylpyrazine-2-carboxylic acid?
The InChIKey is JPKQXPCZBHTDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2S/c1-6-5-7(2)15-11(14-6)18-9-8(10(16)17)12-3-4-13-9/h3-5H,1-2H3,(H,16,17).
What are the key properties of 3-(4,6-dimethylpyrimidin-2-yl)sulfanylpyrazine-2-carboxylic acid?
3-(4,6-dimethylpyrimidin-2-yl)sulfanylpyrazine-2-carboxylic acid has a molecular weight of 262.29 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethylpyrimidin-2-yl)sulfanylpyrazine-2-carboxylic acid is sourced from PubChem (CID 55106477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).