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

C7H9ClN2OS — CID 114582413

IUPAC6-chloro-3-(2-methylsulfanylethyl)pyrimidin-4-one
SMILESCSCCn1cnc(Cl)cc1=O
InChIInChI=1S/C7H9ClN2OS/c1-12-3-2-10-5-9-6(8)4-7(10)11/h4-5H,2-3H2,1H3
InChIKeyZZGLENQQKJXFIP-UHFFFAOYSA-N
MW204.68 g/mol
LogP1.26
Rot. Bonds3

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

6-chloro-3-(2-methylsulfanylethyl)pyrimidin-4-one (PubChem CID 114582413) has the molecular formula C7H9ClN2OS and a molecular weight of 204.68 g/mol. Its IUPAC name is 6-chloro-3-(2-methylsulfanylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(2-methylsulfanylethyl)pyrimidin-4-one
PubChem CID114582413
Molecular FormulaC7H9ClN2OS
Molecular Weight204.68 g/mol
Exact Mass204.01
IUPAC Name6-chloro-3-(2-methylsulfanylethyl)pyrimidin-4-one
SMILESCSCCn1cnc(Cl)cc1=O
InChIInChI=1S/C7H9ClN2OS/c1-12-3-2-10-5-9-6(8)4-7(10)11/h4-5H,2-3H2,1H3
InChIKeyZZGLENQQKJXFIP-UHFFFAOYSA-N
XLogP1.26
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.68
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-Chloro-2-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-one
CID 114581808
6-Chloro-3-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-one
CID 114582237
3-[(1R)-1-methylsulfanylethyl]pyrimidin-4-one
CID 134448162
7-Chloro-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 12568992
6-Chloro-2-ethylsulfanyl-3-methyl-3H-pyrimidin-4-one
CID 49835900
6-Chloro-3-(2-propan-2-ylsulfonylethyl)pyrimidin-4-one
CID 106728640
6-Chloro-3-(2-propylsulfonylethyl)pyrimidin-4-one
CID 106728641
3-(2-Tert-butylsulfonylethyl)-6-chloropyrimidin-4-one
CID 106728642
6-Chloro-2-methyl-3-(3-methylsulfanylpropyl)pyrimidin-4-one
CID 114581700
6-Chloro-3-(3-ethylsulfanylpropyl)-2-methylpyrimidin-4-one
CID 114581868
6-Chloro-3-(2-ethylsulfanylethyl)-2-methylpyrimidin-4-one
CID 114581939
6-Chloro-2-methyl-3-(2-methylsulfanylethyl)pyrimidin-4-one
CID 114581973

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2-methylsulfanylethyl)pyrimidin-4-one?
The IUPAC name of 6-chloro-3-(2-methylsulfanylethyl)pyrimidin-4-one (CID 114582413) is 6-chloro-3-(2-methylsulfanylethyl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(2-methylsulfanylethyl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(2-methylsulfanylethyl)pyrimidin-4-one is CSCCn1cnc(Cl)cc1=O.
What is the InChIKey of 6-chloro-3-(2-methylsulfanylethyl)pyrimidin-4-one?
The InChIKey is ZZGLENQQKJXFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2OS/c1-12-3-2-10-5-9-6(8)4-7(10)11/h4-5H,2-3H2,1H3.
What are the key properties of 6-chloro-3-(2-methylsulfanylethyl)pyrimidin-4-one?
6-chloro-3-(2-methylsulfanylethyl)pyrimidin-4-one has a molecular weight of 204.68 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2-methylsulfanylethyl)pyrimidin-4-one is sourced from PubChem (CID 114582413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).