3-(5-chloro-2-methylphenyl)-2-methylsulfanylpyrimidin-4-one

C12H11ClN2OS — CID 3021382

IUPAC3-(5-chloro-2-methylphenyl)-2-methylsulfanylpyrimidin-4-one
SMILESCSc1nccc(=O)n1-c1cc(Cl)ccc1C
InChIInChI=1S/C12H11ClN2OS/c1-8-3-4-9(13)7-10(8)15-11(16)5-6-14-12(15)17-2/h3-7H,1-2H3
InChIKeyOUGOGFFZRZJMNH-UHFFFAOYSA-N
MW266.75 g/mol
LogP2.92
Rot. Bonds2

About 3-(5-chloro-2-methylphenyl)-2-methylsulfanylpyrimidin-4-one

3-(5-chloro-2-methylphenyl)-2-methylsulfanylpyrimidin-4-one (PubChem CID 3021382) has the molecular formula C12H11ClN2OS and a molecular weight of 266.75 g/mol. Its IUPAC name is 3-(5-chloro-2-methylphenyl)-2-methylsulfanylpyrimidin-4-one.

Molecular Properties

Compound Name3-(5-chloro-2-methylphenyl)-2-methylsulfanylpyrimidin-4-one
PubChem CID3021382
Molecular FormulaC12H11ClN2OS
Molecular Weight266.75 g/mol
Exact Mass266.03
IUPAC Name3-(5-chloro-2-methylphenyl)-2-methylsulfanylpyrimidin-4-one
SMILESCSc1nccc(=O)n1-c1cc(Cl)ccc1C
InChIInChI=1S/C12H11ClN2OS/c1-8-3-4-9(13)7-10(8)15-11(16)5-6-14-12(15)17-2/h3-7H,1-2H3
InChIKeyOUGOGFFZRZJMNH-UHFFFAOYSA-N
XLogP2.92
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-[[4-(5-Chloro-2-methylphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2498970
4(3H)-Pyrimidinone, 3-(2-chlorophenyl)-2-(methylthio)-
CID 100234
4(3H)-Pyrimidinone, 3-(2-methylphenyl)-2-(methylthio)-
CID 100236
3-(5-Chloro-2-methylphenyl)-2-ethylsulfanyl-3,5-dihydroimidazol-4-one
CID 9795388
3-(3-Chloro-4-methylphenyl)-2-ethylsulfanyl-3,5-dihydroimidazol-4-one
CID 44295501
3-(4-Chloro-2-methylphenyl)-2-ethylsulfanyl-3,5-dihydroimidazol-4-one
CID 44295776
3-(3-Chloro-2-methylphenyl)-2-ethylsulfanyl-3,5-dihydroimidazol-4-one
CID 44295791
2-Benzylsulfanyl-3-(5-chloro-2-methylphenyl)-3,5-dihydroimidazol-4-one
CID 44295815
4(3H)-Pyrimidinone, 3-(2-chloro-5-(trifluoromethyl)phenyl)-2-(methylthio)-
CID 3021383
4(3H)-Pyrimidinone, 3-(2-ethylphenyl)-2-(methylthio)-
CID 3021384
4(3H)-Pyrimidinone, 3-(2-chlorophenyl)-2-((phenylmethyl)thio)-
CID 3021386
4(3H)-Pyrimidinone, 3-(5-chloro-2-methylphenyl)-2-phenyl-
CID 3021392

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methylphenyl)-2-methylsulfanylpyrimidin-4-one?
The IUPAC name of 3-(5-chloro-2-methylphenyl)-2-methylsulfanylpyrimidin-4-one (CID 3021382) is 3-(5-chloro-2-methylphenyl)-2-methylsulfanylpyrimidin-4-one.
What is the SMILES notation for 3-(5-chloro-2-methylphenyl)-2-methylsulfanylpyrimidin-4-one?
The canonical SMILES for 3-(5-chloro-2-methylphenyl)-2-methylsulfanylpyrimidin-4-one is CSc1nccc(=O)n1-c1cc(Cl)ccc1C.
What is the InChIKey of 3-(5-chloro-2-methylphenyl)-2-methylsulfanylpyrimidin-4-one?
The InChIKey is OUGOGFFZRZJMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2OS/c1-8-3-4-9(13)7-10(8)15-11(16)5-6-14-12(15)17-2/h3-7H,1-2H3.
What are the key properties of 3-(5-chloro-2-methylphenyl)-2-methylsulfanylpyrimidin-4-one?
3-(5-chloro-2-methylphenyl)-2-methylsulfanylpyrimidin-4-one has a molecular weight of 266.75 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methylphenyl)-2-methylsulfanylpyrimidin-4-one is sourced from PubChem (CID 3021382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).