1-(5-bromothiophen-2-yl)-2-pyrimidin-2-ylethanone

C10H7BrN2OS — CID 116833033

IUPAC1-(5-bromothiophen-2-yl)-2-pyrimidin-2-ylethanone
SMILESO=C(Cc1ncccn1)c1ccc(Br)s1
InChIInChI=1S/C10H7BrN2OS/c11-9-3-2-8(15-9)7(14)6-10-12-4-1-5-13-10/h1-5H,6H2
InChIKeyMZOJQYNYTZZXCZ-UHFFFAOYSA-N
MW283.15 g/mol
LogP2.73
Rot. Bonds3

About 1-(5-bromothiophen-2-yl)-2-pyrimidin-2-ylethanone

1-(5-bromothiophen-2-yl)-2-pyrimidin-2-ylethanone (PubChem CID 116833033) has the molecular formula C10H7BrN2OS and a molecular weight of 283.15 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-2-pyrimidin-2-ylethanone.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-2-pyrimidin-2-ylethanone
PubChem CID116833033
Molecular FormulaC10H7BrN2OS
Molecular Weight283.15 g/mol
Exact Mass281.95
IUPAC Name1-(5-bromothiophen-2-yl)-2-pyrimidin-2-ylethanone
SMILESO=C(Cc1ncccn1)c1ccc(Br)s1
InChIInChI=1S/C10H7BrN2OS/c11-9-3-2-8(15-9)7(14)6-10-12-4-1-5-13-10/h1-5H,6H2
InChIKeyMZOJQYNYTZZXCZ-UHFFFAOYSA-N
XLogP2.73
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.15
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 58448850
1-(5-bromothiophen-2-yl)-2-(3-chlorophenyl)ethanone
CID 62504415
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1-(5-bromothiophen-2-yl)-2-(3,5-difluorophenyl)ethanone
CID 105405260
1-(5-bromothiophen-2-yl)butane-1,3-dione
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1-(5-bromothiophen-2-yl)-2-(furan-3-yl)ethanone
CID 83171153
1-(5-bromothiophen-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
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1H-benzimidazole;2-bromo-1-(5-bromothiophen-2-yl)ethanone
CID 160805678
1-(5-bromothiophen-2-yl)-2-(5-methylpyrimidin-2-yl)sulfanylethanone
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CID 43794754

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-2-pyrimidin-2-ylethanone?
The IUPAC name of 1-(5-bromothiophen-2-yl)-2-pyrimidin-2-ylethanone (CID 116833033) is 1-(5-bromothiophen-2-yl)-2-pyrimidin-2-ylethanone.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-2-pyrimidin-2-ylethanone?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-2-pyrimidin-2-ylethanone is O=C(Cc1ncccn1)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-2-pyrimidin-2-ylethanone?
The InChIKey is MZOJQYNYTZZXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2OS/c11-9-3-2-8(15-9)7(14)6-10-12-4-1-5-13-10/h1-5H,6H2.
What are the key properties of 1-(5-bromothiophen-2-yl)-2-pyrimidin-2-ylethanone?
1-(5-bromothiophen-2-yl)-2-pyrimidin-2-ylethanone has a molecular weight of 283.15 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-2-pyrimidin-2-ylethanone is sourced from PubChem (CID 116833033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).