2-bromo-5-thiophen-2-ylpyrimidine

C8H5BrN2S — CID 66520182

IUPAC2-bromo-5-thiophen-2-ylpyrimidine
SMILESBrc1ncc(-c2cccs2)cn1
InChIInChI=1S/C8H5BrN2S/c9-8-10-4-6(5-11-8)7-2-1-3-12-7/h1-5H
InChIKeyXDSCNKGYJXADGT-UHFFFAOYSA-N
MW241.11 g/mol
LogP2.97
Rot. Bonds1

About 2-bromo-5-thiophen-2-ylpyrimidine

2-bromo-5-thiophen-2-ylpyrimidine (PubChem CID 66520182) has the molecular formula C8H5BrN2S and a molecular weight of 241.11 g/mol. Its IUPAC name is 2-bromo-5-thiophen-2-ylpyrimidine.

Molecular Properties

Compound Name2-bromo-5-thiophen-2-ylpyrimidine
PubChem CID66520182
Molecular FormulaC8H5BrN2S
Molecular Weight241.11 g/mol
Exact Mass239.94
IUPAC Name2-bromo-5-thiophen-2-ylpyrimidine
SMILESBrc1ncc(-c2cccs2)cn1
InChIInChI=1S/C8H5BrN2S/c9-8-10-4-6(5-11-8)7-2-1-3-12-7/h1-5H
InChIKeyXDSCNKGYJXADGT-UHFFFAOYSA-N
XLogP2.97
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.11
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-thiophen-2-ylpyrimidine
CID 54054310
2-(3,5-dibromophenyl)thiophene
CID 19006176
2-[(5-thiophen-2-ylpyrimidin-2-yl)amino]acetonitrile
CID 116975584
2-(4-chlorophenoxy)-5-thiophen-2-ylpyrimidine
CID 5065856
2-[3-(3,5-dithiophen-2-ylphenyl)-5-thiophen-2-ylphenyl]thiophene
CID 25194793
2-chloro-3-methyl-5-thiophen-2-ylpyridine
CID 83814921
5-bromo-4,6-dithiophen-2-ylpyrimidine
CID 134693324
2-[(5-thiophen-2-ylpyrimidin-2-yl)amino]acetic acid
CID 116975091
N',N'-dimethyl-N-(5-thiophen-2-ylpyrimidin-2-yl)ethane-1,2-diamine
CID 4665727
6-thiophen-2-yl-[1,3]oxazolo[4,5-b]pyridine
CID 117000867
N-(2,2-dimethoxyethyl)-5-thiophen-2-ylpyrimidin-2-amine
CID 4642400
4-[(5-thiophen-2-ylpyrimidin-2-yl)amino]benzoic acid
CID 11580239

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-thiophen-2-ylpyrimidine?
The IUPAC name of 2-bromo-5-thiophen-2-ylpyrimidine (CID 66520182) is 2-bromo-5-thiophen-2-ylpyrimidine.
What is the SMILES notation for 2-bromo-5-thiophen-2-ylpyrimidine?
The canonical SMILES for 2-bromo-5-thiophen-2-ylpyrimidine is Brc1ncc(-c2cccs2)cn1.
What is the InChIKey of 2-bromo-5-thiophen-2-ylpyrimidine?
The InChIKey is XDSCNKGYJXADGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2S/c9-8-10-4-6(5-11-8)7-2-1-3-12-7/h1-5H.
What are the key properties of 2-bromo-5-thiophen-2-ylpyrimidine?
2-bromo-5-thiophen-2-ylpyrimidine has a molecular weight of 241.11 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-thiophen-2-ylpyrimidine is sourced from PubChem (CID 66520182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).