4-(1-benzothiophen-3-yl)-2-bromo-6-methylpyrimidine

C13H9BrN2S — CID 116897334

IUPAC4-(1-benzothiophen-3-yl)-2-bromo-6-methylpyrimidine
SMILESCc1cc(-c2csc3ccccc23)nc(Br)n1
InChIInChI=1S/C13H9BrN2S/c1-8-6-11(16-13(14)15-8)10-7-17-12-5-3-2-4-9(10)12/h2-7H,1H3
InChIKeyWQPGRUJLCGASHG-UHFFFAOYSA-N
MW305.20 g/mol
LogP4.43
Rot. Bonds1

About 4-(1-benzothiophen-3-yl)-2-bromo-6-methylpyrimidine

4-(1-benzothiophen-3-yl)-2-bromo-6-methylpyrimidine (PubChem CID 116897334) has the molecular formula C13H9BrN2S and a molecular weight of 305.20 g/mol. Its IUPAC name is 4-(1-benzothiophen-3-yl)-2-bromo-6-methylpyrimidine.

Molecular Properties

Compound Name4-(1-benzothiophen-3-yl)-2-bromo-6-methylpyrimidine
PubChem CID116897334
Molecular FormulaC13H9BrN2S
Molecular Weight305.20 g/mol
Exact Mass303.97
IUPAC Name4-(1-benzothiophen-3-yl)-2-bromo-6-methylpyrimidine
SMILESCc1cc(-c2csc3ccccc23)nc(Br)n1
InChIInChI=1S/C13H9BrN2S/c1-8-6-11(16-13(14)15-8)10-7-17-12-5-3-2-4-9(10)12/h2-7H,1H3
InChIKeyWQPGRUJLCGASHG-UHFFFAOYSA-N
XLogP4.43
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.20
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(1-benzothiophen-3-yl)-2-bromo-6-methylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-4-(2-bromophenyl)-6-methylpyrimidine
CID 116897341
2-(1-benzothiophen-3-yl)-5-bromo-6-methylpyrimidin-4-amine
CID 66303207
3-(2-bromophenyl)-1-benzothiophene
CID 134529579
2-bromo-4-(2,5-dimethylphenyl)-6-methylpyrimidine
CID 116897213
3-(1-benzothiophen-3-yl)-5-propan-2-yl-1H-pyrazole
CID 142092132
3-[2-(1-benzothiophen-3-yl)-5-bromothiophen-3-yl]-2-methyl-1-benzothiophene
CID 70867533
4-(1-benzothiophen-3-yl)-1,3-thiazole-2-carbaldehyde
CID 116867326
4-(1-benzothiophen-3-yl)-1,3-oxazol-2-amine
CID 116832461
2-[[2-(1-benzothiophen-3-yl)-6-methylpyrimidin-4-yl]amino]ethanol
CID 117084250
2-(1-benzothiophen-3-yl)-1-(2,6-dimethyl-4-pyridinyl)ethanone
CID 107502507
2-(1-benzothiophen-3-yl)-5-bromo-1,3-thiazol-4-amine
CID 116864381
6-(1-benzothiophen-3-yl)-3-methyl-1,2,4-triazin-5-amine
CID 116823524

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzothiophen-3-yl)-2-bromo-6-methylpyrimidine?
The IUPAC name of 4-(1-benzothiophen-3-yl)-2-bromo-6-methylpyrimidine (CID 116897334) is 4-(1-benzothiophen-3-yl)-2-bromo-6-methylpyrimidine.
What is the SMILES notation for 4-(1-benzothiophen-3-yl)-2-bromo-6-methylpyrimidine?
The canonical SMILES for 4-(1-benzothiophen-3-yl)-2-bromo-6-methylpyrimidine is Cc1cc(-c2csc3ccccc23)nc(Br)n1.
What is the InChIKey of 4-(1-benzothiophen-3-yl)-2-bromo-6-methylpyrimidine?
The InChIKey is WQPGRUJLCGASHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2S/c1-8-6-11(16-13(14)15-8)10-7-17-12-5-3-2-4-9(10)12/h2-7H,1H3.
What are the key properties of 4-(1-benzothiophen-3-yl)-2-bromo-6-methylpyrimidine?
4-(1-benzothiophen-3-yl)-2-bromo-6-methylpyrimidine has a molecular weight of 305.20 g/mol, XLogP of 4.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzothiophen-3-yl)-2-bromo-6-methylpyrimidine is sourced from PubChem (CID 116897334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).