1-(4-methyl-2-thiophen-2-ylpyrimidin-5-yl)ethanone

C11H10N2OS — CID 15314346

IUPAC1-(4-methyl-2-thiophen-2-ylpyrimidin-5-yl)ethanone
SMILESCC(=O)c1cnc(-c2cccs2)nc1C
InChIInChI=1S/C11H10N2OS/c1-7-9(8(2)14)6-12-11(13-7)10-4-3-5-15-10/h3-6H,1-2H3
InChIKeyUAFMEROMXACAGX-UHFFFAOYSA-N
MW218.28 g/mol
LogP2.72
Rot. Bonds2

About 1-(4-methyl-2-thiophen-2-ylpyrimidin-5-yl)ethanone

1-(4-methyl-2-thiophen-2-ylpyrimidin-5-yl)ethanone (PubChem CID 15314346) has the molecular formula C11H10N2OS and a molecular weight of 218.28 g/mol. Its IUPAC name is 1-(4-methyl-2-thiophen-2-ylpyrimidin-5-yl)ethanone.

Molecular Properties

Compound Name1-(4-methyl-2-thiophen-2-ylpyrimidin-5-yl)ethanone
PubChem CID15314346
Molecular FormulaC11H10N2OS
Molecular Weight218.28 g/mol
Exact Mass218.05
IUPAC Name1-(4-methyl-2-thiophen-2-ylpyrimidin-5-yl)ethanone
SMILESCC(=O)c1cnc(-c2cccs2)nc1C
InChIInChI=1S/C11H10N2OS/c1-7-9(8(2)14)6-12-11(13-7)10-4-3-5-15-10/h3-6H,1-2H3
InChIKeyUAFMEROMXACAGX-UHFFFAOYSA-N
XLogP2.72
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2-thiophen-2-ylpyrimidin-5-yl)ethanone?
The IUPAC name of 1-(4-methyl-2-thiophen-2-ylpyrimidin-5-yl)ethanone (CID 15314346) is 1-(4-methyl-2-thiophen-2-ylpyrimidin-5-yl)ethanone.
What is the SMILES notation for 1-(4-methyl-2-thiophen-2-ylpyrimidin-5-yl)ethanone?
The canonical SMILES for 1-(4-methyl-2-thiophen-2-ylpyrimidin-5-yl)ethanone is CC(=O)c1cnc(-c2cccs2)nc1C.
What is the InChIKey of 1-(4-methyl-2-thiophen-2-ylpyrimidin-5-yl)ethanone?
The InChIKey is UAFMEROMXACAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2OS/c1-7-9(8(2)14)6-12-11(13-7)10-4-3-5-15-10/h3-6H,1-2H3.
What are the key properties of 1-(4-methyl-2-thiophen-2-ylpyrimidin-5-yl)ethanone?
1-(4-methyl-2-thiophen-2-ylpyrimidin-5-yl)ethanone has a molecular weight of 218.28 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2-thiophen-2-ylpyrimidin-5-yl)ethanone is sourced from PubChem (CID 15314346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).