3-pyrimidin-2-ylsulfanylpyrazine-2-carboxylic acid

C9H6N4O2S — CID 62701435

IUPAC3-pyrimidin-2-ylsulfanylpyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1Sc1ncccn1
InChIInChI=1S/C9H6N4O2S/c14-8(15)6-7(11-5-4-10-6)16-9-12-2-1-3-13-9/h1-5H,(H,14,15)
InChIKeyCTUXNJFHTILKOS-UHFFFAOYSA-N
MW234.24 g/mol
LogP1.12
Rot. Bonds3

About 3-pyrimidin-2-ylsulfanylpyrazine-2-carboxylic acid

3-pyrimidin-2-ylsulfanylpyrazine-2-carboxylic acid (PubChem CID 62701435) has the molecular formula C9H6N4O2S and a molecular weight of 234.24 g/mol. Its IUPAC name is 3-pyrimidin-2-ylsulfanylpyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-pyrimidin-2-ylsulfanylpyrazine-2-carboxylic acid
PubChem CID62701435
Molecular FormulaC9H6N4O2S
Molecular Weight234.24 g/mol
Exact Mass234.02
IUPAC Name3-pyrimidin-2-ylsulfanylpyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1Sc1ncccn1
InChIInChI=1S/C9H6N4O2S/c14-8(15)6-7(11-5-4-10-6)16-9-12-2-1-3-13-9/h1-5H,(H,14,15)
InChIKeyCTUXNJFHTILKOS-UHFFFAOYSA-N
XLogP1.12
TPSA88.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.24
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

US11248001, Example 189
CID 154604171
2-Methyl-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxylic acid
CID 67549448
2-Methyl-5-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxylic acid
CID 68407368
Pyrazine-2-carboxylic acid;pyrimidine
CID 68490193
3-(Pyrimidin-5-ylamino)pyrazine-2-carboxylic acid
CID 68926344
5-Ethylsulfonyl-1-methyl-2-pyrimidin-2-ylimidazole-4-carboxylic acid
CID 162739764
3-Ethylsulfanylimidazo[1,2-a]pyrimidine-2-carboxylic acid
CID 167162415
4-Carboxy-5-[(2-methylpyrimidin-5-yl)-sulfinatoamino]-1,3-thiazole
CID 175456440
Pyrazin-2-yl pyrimidin-2-ylthio ketone
CID 3690018
2-[(4-Pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboxylic acid
CID 39159913
3-(4,6-Dimethylpyrimidin-2-yl)sulfanylpyrazine-2-carboxylic acid
CID 55106477
3-(4-Pyrimidin-2-ylpiperazin-1-yl)pyrazine-2-carboxylic acid
CID 62701478

Frequently Asked Questions

What is the IUPAC name of 3-pyrimidin-2-ylsulfanylpyrazine-2-carboxylic acid?
The IUPAC name of 3-pyrimidin-2-ylsulfanylpyrazine-2-carboxylic acid (CID 62701435) is 3-pyrimidin-2-ylsulfanylpyrazine-2-carboxylic acid.
What is the SMILES notation for 3-pyrimidin-2-ylsulfanylpyrazine-2-carboxylic acid?
The canonical SMILES for 3-pyrimidin-2-ylsulfanylpyrazine-2-carboxylic acid is O=C(O)c1nccnc1Sc1ncccn1.
What is the InChIKey of 3-pyrimidin-2-ylsulfanylpyrazine-2-carboxylic acid?
The InChIKey is CTUXNJFHTILKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N4O2S/c14-8(15)6-7(11-5-4-10-6)16-9-12-2-1-3-13-9/h1-5H,(H,14,15).
What are the key properties of 3-pyrimidin-2-ylsulfanylpyrazine-2-carboxylic acid?
3-pyrimidin-2-ylsulfanylpyrazine-2-carboxylic acid has a molecular weight of 234.24 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrimidin-2-ylsulfanylpyrazine-2-carboxylic acid is sourced from PubChem (CID 62701435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).