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

C9H6BrClN2S — CID 115380799

IUPAC2-(3-bromothiophen-2-yl)-4-chloro-6-methylpyrimidine
SMILESCc1cc(Cl)nc(-c2sccc2Br)n1
InChIInChI=1S/C9H6BrClN2S/c1-5-4-7(11)13-9(12-5)8-6(10)2-3-14-8/h2-4H,1H3
InChIKeyFSQONLYYDXRIRN-UHFFFAOYSA-N
MW289.59 g/mol
LogP3.93
Rot. Bonds1

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

2-(3-bromothiophen-2-yl)-4-chloro-6-methylpyrimidine (PubChem CID 115380799) has the molecular formula C9H6BrClN2S and a molecular weight of 289.59 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-4-chloro-6-methylpyrimidine.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-4-chloro-6-methylpyrimidine
PubChem CID115380799
Molecular FormulaC9H6BrClN2S
Molecular Weight289.59 g/mol
Exact Mass287.91
IUPAC Name2-(3-bromothiophen-2-yl)-4-chloro-6-methylpyrimidine
SMILESCc1cc(Cl)nc(-c2sccc2Br)n1
InChIInChI=1S/C9H6BrClN2S/c1-5-4-7(11)13-9(12-5)8-6(10)2-3-14-8/h2-4H,1H3
InChIKeyFSQONLYYDXRIRN-UHFFFAOYSA-N
XLogP3.93
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.59
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromothiophen-2-yl)-4-chloro-6-ethylpyrimidine
CID 115380801
4,6-dichloro-2-(3-chlorothiophen-2-yl)pyrimidine
CID 131008069
2-(3-bromophenyl)-4-chloro-6-methylpyrimidine
CID 43557486
4-chloro-2-(3-methylthiophen-2-yl)-6-propan-2-ylpyrimidine
CID 43557747
4-chloro-2-(2,6-dimethyl-4-pyridinyl)-6-methylpyrimidine
CID 107502259
2-(3-bromothiophen-2-yl)-4,6-dichloro-5-(3-fluorophenyl)pyrimidine
CID 115380846
2-(3-bromothiophen-2-yl)-4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 115380805
2-(3-bromothiophen-2-yl)-6-chloro-4-(trifluoromethyl)pyridine
CID 102716460
5-bromo-4-chloro-6-methyl-2-(3-methylthiophen-2-yl)pyrimidine
CID 66312815
5-(3-bromothiophen-2-yl)-3-methyl-1,2-oxazole
CID 169499017
2-(3-bromothiophen-2-yl)-4-chloro-5-iodo-6-(2-methylpropyl)pyrimidine
CID 113298184
2-(3-bromothiophen-2-yl)-6-ethyl-5-methylpyrimidin-4-amine
CID 115381177

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-4-chloro-6-methylpyrimidine?
The IUPAC name of 2-(3-bromothiophen-2-yl)-4-chloro-6-methylpyrimidine (CID 115380799) is 2-(3-bromothiophen-2-yl)-4-chloro-6-methylpyrimidine.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-4-chloro-6-methylpyrimidine?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-4-chloro-6-methylpyrimidine is Cc1cc(Cl)nc(-c2sccc2Br)n1.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-4-chloro-6-methylpyrimidine?
The InChIKey is FSQONLYYDXRIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClN2S/c1-5-4-7(11)13-9(12-5)8-6(10)2-3-14-8/h2-4H,1H3.
What are the key properties of 2-(3-bromothiophen-2-yl)-4-chloro-6-methylpyrimidine?
2-(3-bromothiophen-2-yl)-4-chloro-6-methylpyrimidine has a molecular weight of 289.59 g/mol, XLogP of 3.93, 1 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-methylpyrimidine is sourced from PubChem (CID 115380799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).