5-bromo-6-chloro-3-(2-methylsulfanylethyl)pyrimidin-4-one

C7H8BrClN2OS — CID 114583694

IUPAC5-bromo-6-chloro-3-(2-methylsulfanylethyl)pyrimidin-4-one
SMILESCSCCn1cnc(Cl)c(Br)c1=O
InChIInChI=1S/C7H8BrClN2OS/c1-13-3-2-11-4-10-6(9)5(8)7(11)12/h4H,2-3H2,1H3
InChIKeyKFJJDJQFWRQJSP-UHFFFAOYSA-N
MW283.58 g/mol
LogP2.02
Rot. Bonds3

About 5-bromo-6-chloro-3-(2-methylsulfanylethyl)pyrimidin-4-one

5-bromo-6-chloro-3-(2-methylsulfanylethyl)pyrimidin-4-one (PubChem CID 114583694) has the molecular formula C7H8BrClN2OS and a molecular weight of 283.58 g/mol. Its IUPAC name is 5-bromo-6-chloro-3-(2-methylsulfanylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-6-chloro-3-(2-methylsulfanylethyl)pyrimidin-4-one
PubChem CID114583694
Molecular FormulaC7H8BrClN2OS
Molecular Weight283.58 g/mol
Exact Mass281.92
IUPAC Name5-bromo-6-chloro-3-(2-methylsulfanylethyl)pyrimidin-4-one
SMILESCSCCn1cnc(Cl)c(Br)c1=O
InChIInChI=1S/C7H8BrClN2OS/c1-13-3-2-11-4-10-6(9)5(8)7(11)12/h4H,2-3H2,1H3
InChIKeyKFJJDJQFWRQJSP-UHFFFAOYSA-N
XLogP2.02
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.58
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Bromo-6-chloro-3-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-one
CID 114583532
5-Bromo-6-chloro-3-ethylpyrimidin-4-one
CID 15924965
5-Bromo-6-chloro-3-(2-propan-2-ylsulfonylethyl)pyrimidin-4-one
CID 106728649
5-Bromo-6-chloro-3-(2-propylsulfonylethyl)pyrimidin-4-one
CID 106728650
5-Bromo-3-(2-tert-butylsulfonylethyl)-6-chloropyrimidin-4-one
CID 113870573
6-Chloro-3-(2-methylsulfanylethyl)pyrimidin-4-one
CID 114582413
5,6-Dichloro-3-(2-methylsulfanylethyl)pyrimidin-4-one
CID 114583268
5-Bromo-6-chloro-3-(3-methylsulfonylpropyl)pyrimidin-4-one
CID 114583313
5-Bromo-6-chloro-3-(3-methylsulfanylpropyl)pyrimidin-4-one
CID 114583421
5-Bromo-6-chloro-3-(2-methylsulfonylethyl)pyrimidin-4-one
CID 114583449
5-Bromo-6-chloro-3-(3-ethylsulfonylpropyl)pyrimidin-4-one
CID 114583518
5-Bromo-6-chloro-3-propan-2-ylpyrimidin-4-one
CID 114583536

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-3-(2-methylsulfanylethyl)pyrimidin-4-one?
The IUPAC name of 5-bromo-6-chloro-3-(2-methylsulfanylethyl)pyrimidin-4-one (CID 114583694) is 5-bromo-6-chloro-3-(2-methylsulfanylethyl)pyrimidin-4-one.
What is the SMILES notation for 5-bromo-6-chloro-3-(2-methylsulfanylethyl)pyrimidin-4-one?
The canonical SMILES for 5-bromo-6-chloro-3-(2-methylsulfanylethyl)pyrimidin-4-one is CSCCn1cnc(Cl)c(Br)c1=O.
What is the InChIKey of 5-bromo-6-chloro-3-(2-methylsulfanylethyl)pyrimidin-4-one?
The InChIKey is KFJJDJQFWRQJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrClN2OS/c1-13-3-2-11-4-10-6(9)5(8)7(11)12/h4H,2-3H2,1H3.
What are the key properties of 5-bromo-6-chloro-3-(2-methylsulfanylethyl)pyrimidin-4-one?
5-bromo-6-chloro-3-(2-methylsulfanylethyl)pyrimidin-4-one has a molecular weight of 283.58 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloro-3-(2-methylsulfanylethyl)pyrimidin-4-one is sourced from PubChem (CID 114583694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).