2-(3-bromothiophen-2-yl)-4-chloro-6-ethylpyrimidine

C10H8BrClN2S — CID 115380801

IUPAC2-(3-bromothiophen-2-yl)-4-chloro-6-ethylpyrimidine
SMILESCCc1cc(Cl)nc(-c2sccc2Br)n1
InChIInChI=1S/C10H8BrClN2S/c1-2-6-5-8(12)14-10(13-6)9-7(11)3-4-15-9/h3-5H,2H2,1H3
InChIKeyADBXAIIBZCXTBA-UHFFFAOYSA-N
MW303.61 g/mol
LogP4.18
Rot. Bonds2

About 2-(3-bromothiophen-2-yl)-4-chloro-6-ethylpyrimidine

2-(3-bromothiophen-2-yl)-4-chloro-6-ethylpyrimidine (PubChem CID 115380801) has the molecular formula C10H8BrClN2S and a molecular weight of 303.61 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-4-chloro-6-ethylpyrimidine.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-4-chloro-6-ethylpyrimidine
PubChem CID115380801
Molecular FormulaC10H8BrClN2S
Molecular Weight303.61 g/mol
Exact Mass301.93
IUPAC Name2-(3-bromothiophen-2-yl)-4-chloro-6-ethylpyrimidine
SMILESCCc1cc(Cl)nc(-c2sccc2Br)n1
InChIInChI=1S/C10H8BrClN2S/c1-2-6-5-8(12)14-10(13-6)9-7(11)3-4-15-9/h3-5H,2H2,1H3
InChIKeyADBXAIIBZCXTBA-UHFFFAOYSA-N
XLogP4.18
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.61
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromothiophen-2-yl)-4-chloro-6-methylpyrimidine
CID 115380799
2-(3-bromothiophen-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 115381242
2-(3-bromothiophen-2-yl)-4-chloro-5-iodo-6-(2-methylpropyl)pyrimidine
CID 113298184
4-chloro-6-ethyl-2-(furan-2-yl)pyrimidine
CID 43557912
2-(3-bromothiophen-2-yl)-6-ethyl-5-methylpyrimidin-4-amine
CID 115381177
4,6-dichloro-2-(3-chlorothiophen-2-yl)pyrimidine
CID 131008069
6-ethyl-2-(3-methylthiophen-2-yl)pyrimidin-4-amine
CID 62201574
4-chloro-2-(3-chloro-2-fluorophenyl)-6-ethylpyrimidine
CID 114488346
4-chloro-6-ethyl-2-(2-methylpyrazol-3-yl)pyrimidine
CID 114553959
4-chloro-2-(3-methylthiophen-2-yl)-6-propan-2-ylpyrimidine
CID 43557747
2-(3-bromothiophen-2-yl)-6-tert-butyl-N-propylpyrimidin-4-amine
CID 115381139
4-chloro-2,6-diethylpyrimidine
CID 43557605

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-4-chloro-6-ethylpyrimidine?
The IUPAC name of 2-(3-bromothiophen-2-yl)-4-chloro-6-ethylpyrimidine (CID 115380801) is 2-(3-bromothiophen-2-yl)-4-chloro-6-ethylpyrimidine.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-4-chloro-6-ethylpyrimidine?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-4-chloro-6-ethylpyrimidine is CCc1cc(Cl)nc(-c2sccc2Br)n1.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-4-chloro-6-ethylpyrimidine?
The InChIKey is ADBXAIIBZCXTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN2S/c1-2-6-5-8(12)14-10(13-6)9-7(11)3-4-15-9/h3-5H,2H2,1H3.
What are the key properties of 2-(3-bromothiophen-2-yl)-4-chloro-6-ethylpyrimidine?
2-(3-bromothiophen-2-yl)-4-chloro-6-ethylpyrimidine has a molecular weight of 303.61 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-4-chloro-6-ethylpyrimidine is sourced from PubChem (CID 115380801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).