6-(4-pyrazin-2-ylthiophen-3-yl)-1H-pyrimidin-2-one

C12H8N4OS — CID 90762825

IUPAC6-(4-pyrazin-2-ylthiophen-3-yl)-1H-pyrimidin-2-one
SMILESO=c1nccc(-c2cscc2-c2cnccn2)[nH]1
InChIInChI=1S/C12H8N4OS/c17-12-15-2-1-10(16-12)8-6-18-7-9(8)11-5-13-3-4-14-11/h1-7H,(H,15,16,17)
InChIKeyMIWWHFSHKIRJSL-UHFFFAOYSA-N
MW256.29 g/mol
LogP1.96
Rot. Bonds2

About 6-(4-pyrazin-2-ylthiophen-3-yl)-1H-pyrimidin-2-one

6-(4-pyrazin-2-ylthiophen-3-yl)-1H-pyrimidin-2-one (PubChem CID 90762825) has the molecular formula C12H8N4OS and a molecular weight of 256.29 g/mol. Its IUPAC name is 6-(4-pyrazin-2-ylthiophen-3-yl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(4-pyrazin-2-ylthiophen-3-yl)-1H-pyrimidin-2-one
PubChem CID90762825
Molecular FormulaC12H8N4OS
Molecular Weight256.29 g/mol
Exact Mass256.04
IUPAC Name6-(4-pyrazin-2-ylthiophen-3-yl)-1H-pyrimidin-2-one
SMILESO=c1nccc(-c2cscc2-c2cnccn2)[nH]1
InChIInChI=1S/C12H8N4OS/c17-12-15-2-1-10(16-12)8-6-18-7-9(8)11-5-13-3-4-14-11/h1-7H,(H,15,16,17)
InChIKeyMIWWHFSHKIRJSL-UHFFFAOYSA-N
XLogP1.96
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-pyrazin-2-ylthiophen-3-yl)-1H-pyrimidin-2-one?
The IUPAC name of 6-(4-pyrazin-2-ylthiophen-3-yl)-1H-pyrimidin-2-one (CID 90762825) is 6-(4-pyrazin-2-ylthiophen-3-yl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(4-pyrazin-2-ylthiophen-3-yl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-(4-pyrazin-2-ylthiophen-3-yl)-1H-pyrimidin-2-one is O=c1nccc(-c2cscc2-c2cnccn2)[nH]1.
What is the InChIKey of 6-(4-pyrazin-2-ylthiophen-3-yl)-1H-pyrimidin-2-one?
The InChIKey is MIWWHFSHKIRJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4OS/c17-12-15-2-1-10(16-12)8-6-18-7-9(8)11-5-13-3-4-14-11/h1-7H,(H,15,16,17).
What are the key properties of 6-(4-pyrazin-2-ylthiophen-3-yl)-1H-pyrimidin-2-one?
6-(4-pyrazin-2-ylthiophen-3-yl)-1H-pyrimidin-2-one has a molecular weight of 256.29 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-pyrazin-2-ylthiophen-3-yl)-1H-pyrimidin-2-one is sourced from PubChem (CID 90762825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).