5-bromo-2-chloro-4-(2-methylsulfonylethylsulfanyl)pyrimidine

C7H8BrClN2O2S2 — CID 79072549

IUPAC5-bromo-2-chloro-4-(2-methylsulfonylethylsulfanyl)pyrimidine
SMILESCS(=O)(=O)CCSc1nc(Cl)ncc1Br
InChIInChI=1S/C7H8BrClN2O2S2/c1-15(12,13)3-2-14-6-5(8)4-10-7(9)11-6/h4H,2-3H2,1H3
InChIKeyHOJGQTDSYKMLHG-UHFFFAOYSA-N
MW331.64 g/mol
LogP2.03
Rot. Bonds4

About 5-bromo-2-chloro-4-(2-methylsulfonylethylsulfanyl)pyrimidine

5-bromo-2-chloro-4-(2-methylsulfonylethylsulfanyl)pyrimidine (PubChem CID 79072549) has the molecular formula C7H8BrClN2O2S2 and a molecular weight of 331.64 g/mol. Its IUPAC name is 5-bromo-2-chloro-4-(2-methylsulfonylethylsulfanyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-2-chloro-4-(2-methylsulfonylethylsulfanyl)pyrimidine
PubChem CID79072549
Molecular FormulaC7H8BrClN2O2S2
Molecular Weight331.64 g/mol
Exact Mass329.89
IUPAC Name5-bromo-2-chloro-4-(2-methylsulfonylethylsulfanyl)pyrimidine
SMILESCS(=O)(=O)CCSc1nc(Cl)ncc1Br
InChIInChI=1S/C7H8BrClN2O2S2/c1-15(12,13)3-2-14-6-5(8)4-10-7(9)11-6/h4H,2-3H2,1H3
InChIKeyHOJGQTDSYKMLHG-UHFFFAOYSA-N
XLogP2.03
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.64
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dichloro-4-(2-methylsulfonylethylsulfanyl)pyrimidine
CID 79633255
5-chloro-4-(2-methylsulfonylethylsulfanyl)-N-propylpyrimidin-2-amine
CID 80883328
4-bromo-2-(2-methylsulfonylethylsulfanyl)-1,3-thiazole
CID 79398712
2-(5-bromo-2-chloropyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine
CID 79072544
6-chloro-1-(2-methylsulfonylethyl)pyrazolo[3,4-d]pyrimidine
CID 165171856
3-(5-bromo-2-chloropyrimidin-4-yl)sulfanylbutan-1-ol
CID 79073731
2-chloro-4-(2-methylsulfonylethylsulfanyl)pyridine
CID 63778851
2-[(3-bromo-5-chloro-2-pyridinyl)sulfanyl]ethanesulfonyl chloride
CID 114838140
6-bromo-4-(2-methylsulfonylethylsulfanyl)quinolin-3-amine
CID 63659896
2-chloro-5-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine
CID 79076599
N-[1-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 79072516
4-(2-methylsulfonylethylsulfanyl)quinazoline
CID 47096866

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-4-(2-methylsulfonylethylsulfanyl)pyrimidine?
The IUPAC name of 5-bromo-2-chloro-4-(2-methylsulfonylethylsulfanyl)pyrimidine (CID 79072549) is 5-bromo-2-chloro-4-(2-methylsulfonylethylsulfanyl)pyrimidine.
What is the SMILES notation for 5-bromo-2-chloro-4-(2-methylsulfonylethylsulfanyl)pyrimidine?
The canonical SMILES for 5-bromo-2-chloro-4-(2-methylsulfonylethylsulfanyl)pyrimidine is CS(=O)(=O)CCSc1nc(Cl)ncc1Br.
What is the InChIKey of 5-bromo-2-chloro-4-(2-methylsulfonylethylsulfanyl)pyrimidine?
The InChIKey is HOJGQTDSYKMLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrClN2O2S2/c1-15(12,13)3-2-14-6-5(8)4-10-7(9)11-6/h4H,2-3H2,1H3.
What are the key properties of 5-bromo-2-chloro-4-(2-methylsulfonylethylsulfanyl)pyrimidine?
5-bromo-2-chloro-4-(2-methylsulfonylethylsulfanyl)pyrimidine has a molecular weight of 331.64 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-4-(2-methylsulfonylethylsulfanyl)pyrimidine is sourced from PubChem (CID 79072549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).