1-(4-thiophen-3-ylpyrimidin-2-yl)ethanone

C10H8N2OS — CID 168944438

IUPAC1-(4-thiophen-3-ylpyrimidin-2-yl)ethanone
SMILESCC(=O)c1nccc(-c2ccsc2)n1
InChIInChI=1S/C10H8N2OS/c1-7(13)10-11-4-2-9(12-10)8-3-5-14-6-8/h2-6H,1H3
InChIKeySCDNOPWZQWXHOA-UHFFFAOYSA-N
MW204.25 g/mol
LogP2.41
Rot. Bonds2

About 1-(4-thiophen-3-ylpyrimidin-2-yl)ethanone

1-(4-thiophen-3-ylpyrimidin-2-yl)ethanone (PubChem CID 168944438) has the molecular formula C10H8N2OS and a molecular weight of 204.25 g/mol. Its IUPAC name is 1-(4-thiophen-3-ylpyrimidin-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-thiophen-3-ylpyrimidin-2-yl)ethanone
PubChem CID168944438
Molecular FormulaC10H8N2OS
Molecular Weight204.25 g/mol
Exact Mass204.04
IUPAC Name1-(4-thiophen-3-ylpyrimidin-2-yl)ethanone
SMILESCC(=O)c1nccc(-c2ccsc2)n1
InChIInChI=1S/C10H8N2OS/c1-7(13)10-11-4-2-9(12-10)8-3-5-14-6-8/h2-6H,1H3
InChIKeySCDNOPWZQWXHOA-UHFFFAOYSA-N
XLogP2.41
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3,4-dichlorophenyl)pyrimidin-2-yl]ethanone
CID 116901514
1-[4-(3-methylphenyl)pyrimidin-2-yl]ethanone
CID 116901517
1-[4-(4-ethoxyphenyl)pyrimidin-2-yl]ethanone
CID 116901466
N-(3,5-dimethylphenyl)-4-thiophen-3-ylpyrimidin-2-amine
CID 15653050
tert-butyl 2-thiophen-3-ylpyridine-4-carboxylate
CID 139447971
ethane;1-(4-thiophen-3-ylphenyl)ethanone
CID 143391114
2-(4-thiophen-3-ylpyrimidin-2-yl)benzene-1,4-diamine
CID 70101336
2-methyl-1-(4-thiophen-3-yl-1,3-thiazol-2-yl)propan-1-one
CID 58782137
2-(3-methylbut-2-enoxy)-6-thiophen-3-ylpyridine
CID 4554392
1-[4-(5-bromo-2-methoxyphenyl)pyrimidin-2-yl]ethanone
CID 116901461
1-[4-(2-methyl-1H-indol-3-yl)pyrimidin-2-yl]ethanone
CID 116901481
4-phenylpyrimidine-2-carboxamide
CID 68541218

Frequently Asked Questions

What is the IUPAC name of 1-(4-thiophen-3-ylpyrimidin-2-yl)ethanone?
The IUPAC name of 1-(4-thiophen-3-ylpyrimidin-2-yl)ethanone (CID 168944438) is 1-(4-thiophen-3-ylpyrimidin-2-yl)ethanone.
What is the SMILES notation for 1-(4-thiophen-3-ylpyrimidin-2-yl)ethanone?
The canonical SMILES for 1-(4-thiophen-3-ylpyrimidin-2-yl)ethanone is CC(=O)c1nccc(-c2ccsc2)n1.
What is the InChIKey of 1-(4-thiophen-3-ylpyrimidin-2-yl)ethanone?
The InChIKey is SCDNOPWZQWXHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2OS/c1-7(13)10-11-4-2-9(12-10)8-3-5-14-6-8/h2-6H,1H3.
What are the key properties of 1-(4-thiophen-3-ylpyrimidin-2-yl)ethanone?
1-(4-thiophen-3-ylpyrimidin-2-yl)ethanone has a molecular weight of 204.25 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-thiophen-3-ylpyrimidin-2-yl)ethanone is sourced from PubChem (CID 168944438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).