3-(5-bromo-4-chloro-6-ethylpyrimidin-2-yl)thiolane 1,1-dioxide

C10H12BrClN2O2S — CID 115336186

IUPAC3-(5-bromo-4-chloro-6-ethylpyrimidin-2-yl)thiolane 1,1-dioxide
SMILESCCc1nc(C2CCS(=O)(=O)C2)nc(Cl)c1Br
InChIInChI=1S/C10H12BrClN2O2S/c1-2-7-8(11)9(12)14-10(13-7)6-3-4-17(15,16)5-6/h6H,2-5H2,1H3
InChIKeyFWBRHOAWRMWPIB-UHFFFAOYSA-N
MW339.64 g/mol
LogP2.36
Rot. Bonds2

About 3-(5-bromo-4-chloro-6-ethylpyrimidin-2-yl)thiolane 1,1-dioxide

3-(5-bromo-4-chloro-6-ethylpyrimidin-2-yl)thiolane 1,1-dioxide (PubChem CID 115336186) has the molecular formula C10H12BrClN2O2S and a molecular weight of 339.64 g/mol. Its IUPAC name is 3-(5-bromo-4-chloro-6-ethylpyrimidin-2-yl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-(5-bromo-4-chloro-6-ethylpyrimidin-2-yl)thiolane 1,1-dioxide
PubChem CID115336186
Molecular FormulaC10H12BrClN2O2S
Molecular Weight339.64 g/mol
Exact Mass337.95
IUPAC Name3-(5-bromo-4-chloro-6-ethylpyrimidin-2-yl)thiolane 1,1-dioxide
SMILESCCc1nc(C2CCS(=O)(=O)C2)nc(Cl)c1Br
InChIInChI=1S/C10H12BrClN2O2S/c1-2-7-8(11)9(12)14-10(13-7)6-3-4-17(15,16)5-6/h6H,2-5H2,1H3
InChIKeyFWBRHOAWRMWPIB-UHFFFAOYSA-N
XLogP2.36
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.64
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-chloro-2-cyclobutyl-6-ethylpyrimidine
CID 66292583
3-(4-chloro-5-iodo-6-propylpyrimidin-2-yl)thiolane 1,1-dioxide
CID 115336183
5-bromo-4-chloro-6-ethyl-2-(oxan-4-yl)pyrimidine
CID 66294218
5-bromo-4-chloro-6-ethyl-2-(4-ethylcyclohexyl)pyrimidine
CID 66294833
5-bromo-2-(1,1-dioxothiolan-3-yl)-N-methyl-6-propylpyrimidin-4-amine
CID 115337260
5-bromo-4-chloro-2-cyclopropyl-6-propylpyrimidine
CID 66293970
3-(4,6-dichloropyrimidin-2-yl)thiolane 1,1-dioxide
CID 115336168
5-bromo-4-chloro-2-cyclohexyl-6-propylpyrimidine
CID 66292539
5-bromo-2-(1,1-dioxothiolan-3-yl)-6-methyl-N-propylpyrimidin-4-amine
CID 115337254
5-bromo-4-chloro-6-ethyl-2-(5-methyloxolan-2-yl)pyrimidine
CID 82836731
2-(1,1-dioxothiolan-3-yl)-5-iodo-6-propylpyrimidin-4-amine
CID 113289855
5-bromo-4-chloro-6-ethyl-2-(thian-2-yl)pyrimidine
CID 80622284

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-4-chloro-6-ethylpyrimidin-2-yl)thiolane 1,1-dioxide?
The IUPAC name of 3-(5-bromo-4-chloro-6-ethylpyrimidin-2-yl)thiolane 1,1-dioxide (CID 115336186) is 3-(5-bromo-4-chloro-6-ethylpyrimidin-2-yl)thiolane 1,1-dioxide.
What is the SMILES notation for 3-(5-bromo-4-chloro-6-ethylpyrimidin-2-yl)thiolane 1,1-dioxide?
The canonical SMILES for 3-(5-bromo-4-chloro-6-ethylpyrimidin-2-yl)thiolane 1,1-dioxide is CCc1nc(C2CCS(=O)(=O)C2)nc(Cl)c1Br.
What is the InChIKey of 3-(5-bromo-4-chloro-6-ethylpyrimidin-2-yl)thiolane 1,1-dioxide?
The InChIKey is FWBRHOAWRMWPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClN2O2S/c1-2-7-8(11)9(12)14-10(13-7)6-3-4-17(15,16)5-6/h6H,2-5H2,1H3.
What are the key properties of 3-(5-bromo-4-chloro-6-ethylpyrimidin-2-yl)thiolane 1,1-dioxide?
3-(5-bromo-4-chloro-6-ethylpyrimidin-2-yl)thiolane 1,1-dioxide has a molecular weight of 339.64 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-4-chloro-6-ethylpyrimidin-2-yl)thiolane 1,1-dioxide is sourced from PubChem (CID 115336186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).