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

C8H11ClN2OS — CID 114581973

IUPAC6-chloro-2-methyl-3-(2-methylsulfanylethyl)pyrimidin-4-one
SMILESCSCCn1c(C)nc(Cl)cc1=O
InChIInChI=1S/C8H11ClN2OS/c1-6-10-7(9)5-8(12)11(6)3-4-13-2/h5H,3-4H2,1-2H3
InChIKeyKDIZARUNGAMHPM-UHFFFAOYSA-N
MW218.71 g/mol
LogP1.57
Rot. Bonds3

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

6-chloro-2-methyl-3-(2-methylsulfanylethyl)pyrimidin-4-one (PubChem CID 114581973) has the molecular formula C8H11ClN2OS and a molecular weight of 218.71 g/mol. Its IUPAC name is 6-chloro-2-methyl-3-(2-methylsulfanylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-2-methyl-3-(2-methylsulfanylethyl)pyrimidin-4-one
PubChem CID114581973
Molecular FormulaC8H11ClN2OS
Molecular Weight218.71 g/mol
Exact Mass218.03
IUPAC Name6-chloro-2-methyl-3-(2-methylsulfanylethyl)pyrimidin-4-one
SMILESCSCCn1c(C)nc(Cl)cc1=O
InChIInChI=1S/C8H11ClN2OS/c1-6-10-7(9)5-8(12)11(6)3-4-13-2/h5H,3-4H2,1-2H3
InChIKeyKDIZARUNGAMHPM-UHFFFAOYSA-N
XLogP1.57
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.71
LogP ≤ 51.57
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-3-ethyl-2-methylpyrimidin-4-one
CID 114581811
6-Chloro-2,3-diethylpyrimidin-4-one
CID 114584343
6-Chloro-2-ethenyl-3-ethylpyrimidin-4-one
CID 118490029
6-Chloro-2-ethylsulfanyl-3-methyl-3H-pyrimidin-4-one
CID 49835900
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
3-(2-Tert-butylsulfonylethyl)-6-chloro-2-methylpyrimidin-4-one
CID 106728639
6-Chloro-2-ethyl-3-(2-propan-2-ylsulfonylethyl)pyrimidin-4-one
CID 113870575
6-Chloro-2-methyl-3-(3-methylsulfonylpropyl)pyrimidin-4-one
CID 114581591

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-3-(2-methylsulfanylethyl)pyrimidin-4-one?
The IUPAC name of 6-chloro-2-methyl-3-(2-methylsulfanylethyl)pyrimidin-4-one (CID 114581973) is 6-chloro-2-methyl-3-(2-methylsulfanylethyl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-2-methyl-3-(2-methylsulfanylethyl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-2-methyl-3-(2-methylsulfanylethyl)pyrimidin-4-one is CSCCn1c(C)nc(Cl)cc1=O.
What is the InChIKey of 6-chloro-2-methyl-3-(2-methylsulfanylethyl)pyrimidin-4-one?
The InChIKey is KDIZARUNGAMHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2OS/c1-6-10-7(9)5-8(12)11(6)3-4-13-2/h5H,3-4H2,1-2H3.
What are the key properties of 6-chloro-2-methyl-3-(2-methylsulfanylethyl)pyrimidin-4-one?
6-chloro-2-methyl-3-(2-methylsulfanylethyl)pyrimidin-4-one has a molecular weight of 218.71 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-3-(2-methylsulfanylethyl)pyrimidin-4-one is sourced from PubChem (CID 114581973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).