6-chloro-2-ethyl-3-(2-methylsulfanylethyl)pyrimidin-4-one

C9H13ClN2OS — CID 114584470

IUPAC6-chloro-2-ethyl-3-(2-methylsulfanylethyl)pyrimidin-4-one
SMILESCCc1nc(Cl)cc(=O)n1CCSC
InChIInChI=1S/C9H13ClN2OS/c1-3-8-11-7(10)6-9(13)12(8)4-5-14-2/h6H,3-5H2,1-2H3
InChIKeyKAZWEBUBQFKIJJ-UHFFFAOYSA-N
MW232.74 g/mol
LogP1.82
Rot. Bonds4

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

6-chloro-2-ethyl-3-(2-methylsulfanylethyl)pyrimidin-4-one (PubChem CID 114584470) has the molecular formula C9H13ClN2OS and a molecular weight of 232.74 g/mol. Its IUPAC name is 6-chloro-2-ethyl-3-(2-methylsulfanylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-2-ethyl-3-(2-methylsulfanylethyl)pyrimidin-4-one
PubChem CID114584470
Molecular FormulaC9H13ClN2OS
Molecular Weight232.74 g/mol
Exact Mass232.04
IUPAC Name6-chloro-2-ethyl-3-(2-methylsulfanylethyl)pyrimidin-4-one
SMILESCCc1nc(Cl)cc(=O)n1CCSC
InChIInChI=1S/C9H13ClN2OS/c1-3-8-11-7(10)6-9(13)12(8)4-5-14-2/h6H,3-5H2,1-2H3
InChIKeyKAZWEBUBQFKIJJ-UHFFFAOYSA-N
XLogP1.82
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.74
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-Chloro-2-propan-2-yl-3-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-one
CID 113604616
6-Chloro-2-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-one
CID 114581808
6-Chloro-2-ethyl-3-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-one
CID 114584339
6-Chloro-2-ethyl-3-(2-fluoroethyl)pyrimidin-4-one
CID 114584391
6-Chloro-2-ethyl-3-(3-fluoropropyl)pyrimidin-4-one
CID 114584452
6-Chloro-2-cyclopropyl-3-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-one
CID 114584658
2,3-dibutyl-6-[(E)-1-chloroprop-1-enyl]sulfanylpyrimidin-4-one
CID 89329672
6-Chloro-2,3-diethylpyrimidin-4-one
CID 114584343
6-Chloro-2-methyl-3-(2-propan-2-ylsulfonylethyl)pyrimidin-4-one
CID 106728637
6-Chloro-2-methyl-3-(2-propylsulfonylethyl)pyrimidin-4-one
CID 106728638
6-Chloro-2-ethyl-3-(2-propylsulfonylethyl)pyrimidin-4-one
CID 106728653
3-(2-Tert-butylsulfonylethyl)-6-chloro-2-ethylpyrimidin-4-one
CID 106728654

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-3-(2-methylsulfanylethyl)pyrimidin-4-one?
The IUPAC name of 6-chloro-2-ethyl-3-(2-methylsulfanylethyl)pyrimidin-4-one (CID 114584470) is 6-chloro-2-ethyl-3-(2-methylsulfanylethyl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-2-ethyl-3-(2-methylsulfanylethyl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-2-ethyl-3-(2-methylsulfanylethyl)pyrimidin-4-one is CCc1nc(Cl)cc(=O)n1CCSC.
What is the InChIKey of 6-chloro-2-ethyl-3-(2-methylsulfanylethyl)pyrimidin-4-one?
The InChIKey is KAZWEBUBQFKIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2OS/c1-3-8-11-7(10)6-9(13)12(8)4-5-14-2/h6H,3-5H2,1-2H3.
What are the key properties of 6-chloro-2-ethyl-3-(2-methylsulfanylethyl)pyrimidin-4-one?
6-chloro-2-ethyl-3-(2-methylsulfanylethyl)pyrimidin-4-one has a molecular weight of 232.74 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-3-(2-methylsulfanylethyl)pyrimidin-4-one is sourced from PubChem (CID 114584470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).