4-(4-bromothiophen-2-yl)-6-methyl-1H-pyrimidin-2-one

C9H7BrN2OS — CID 116894775

IUPAC4-(4-bromothiophen-2-yl)-6-methyl-1H-pyrimidin-2-one
SMILESCc1cc(-c2cc(Br)cs2)nc(=O)[nH]1
InChIInChI=1S/C9H7BrN2OS/c1-5-2-7(12-9(13)11-5)8-3-6(10)4-14-8/h2-4H,1H3,(H,11,12,13)
InChIKeyDWJQBGGSNVNTGN-UHFFFAOYSA-N
MW271.14 g/mol
LogP2.57
Rot. Bonds1

About 4-(4-bromothiophen-2-yl)-6-methyl-1H-pyrimidin-2-one

4-(4-bromothiophen-2-yl)-6-methyl-1H-pyrimidin-2-one (PubChem CID 116894775) has the molecular formula C9H7BrN2OS and a molecular weight of 271.14 g/mol. Its IUPAC name is 4-(4-bromothiophen-2-yl)-6-methyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-(4-bromothiophen-2-yl)-6-methyl-1H-pyrimidin-2-one
PubChem CID116894775
Molecular FormulaC9H7BrN2OS
Molecular Weight271.14 g/mol
Exact Mass269.95
IUPAC Name4-(4-bromothiophen-2-yl)-6-methyl-1H-pyrimidin-2-one
SMILESCc1cc(-c2cc(Br)cs2)nc(=O)[nH]1
InChIInChI=1S/C9H7BrN2OS/c1-5-2-7(12-9(13)11-5)8-3-6(10)4-14-8/h2-4H,1H3,(H,11,12,13)
InChIKeyDWJQBGGSNVNTGN-UHFFFAOYSA-N
XLogP2.57
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.14
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromothiophen-2-yl)-5-methyl-1H-pyrazole
CID 116856607
[6-(4-bromothiophen-2-yl)-2-methylpyrimidin-4-yl]methanamine
CID 116857651
2-(4-bromothiophen-2-yl)-6-tert-butyl-1H-pyrimidine-4-thione
CID 106475815
4-(furan-3-yl)-6-methyl-1H-pyrimidin-2-one
CID 103922854
4-(2-methoxy-4,5-dimethylphenyl)-6-methyl-1H-pyrimidin-2-one
CID 116894751
4-(6-methyl-2-oxo-1H-pyrimidin-4-yl)benzoic acid
CID 105487597
6-methyl-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-2-one
CID 106515852
4-(3-fluoro-2-methylphenyl)-6-methyl-1H-pyrimidin-2-one
CID 106520134
2-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]propan-1-amine
CID 107354708
5-bromo-2-(4-bromothiophen-2-yl)-1H-pyrimidin-6-one
CID 66315118
2-(4-bromothiophen-2-yl)-6-fluoro-8-methylquinoline-4-carboxylic acid
CID 107354659
2-[4-(4-bromothiophen-2-yl)-2-methylimidazol-1-yl]ethanamine
CID 82307623

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromothiophen-2-yl)-6-methyl-1H-pyrimidin-2-one?
The IUPAC name of 4-(4-bromothiophen-2-yl)-6-methyl-1H-pyrimidin-2-one (CID 116894775) is 4-(4-bromothiophen-2-yl)-6-methyl-1H-pyrimidin-2-one.
What is the SMILES notation for 4-(4-bromothiophen-2-yl)-6-methyl-1H-pyrimidin-2-one?
The canonical SMILES for 4-(4-bromothiophen-2-yl)-6-methyl-1H-pyrimidin-2-one is Cc1cc(-c2cc(Br)cs2)nc(=O)[nH]1.
What is the InChIKey of 4-(4-bromothiophen-2-yl)-6-methyl-1H-pyrimidin-2-one?
The InChIKey is DWJQBGGSNVNTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2OS/c1-5-2-7(12-9(13)11-5)8-3-6(10)4-14-8/h2-4H,1H3,(H,11,12,13).
What are the key properties of 4-(4-bromothiophen-2-yl)-6-methyl-1H-pyrimidin-2-one?
4-(4-bromothiophen-2-yl)-6-methyl-1H-pyrimidin-2-one has a molecular weight of 271.14 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromothiophen-2-yl)-6-methyl-1H-pyrimidin-2-one is sourced from PubChem (CID 116894775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).