4-(2-chlorophenyl)-2-methylsulfanylpyrimidine

C11H9ClN2S — CID 57263424

IUPAC4-(2-chlorophenyl)-2-methylsulfanylpyrimidine
SMILESCSc1nccc(-c2ccccc2Cl)n1
InChIInChI=1S/C11H9ClN2S/c1-15-11-13-7-6-10(14-11)8-4-2-3-5-9(8)12/h2-7H,1H3
InChIKeyKALXITLBGSMMRQ-UHFFFAOYSA-N
MW236.73 g/mol
LogP3.52
Rot. Bonds2

About 4-(2-chlorophenyl)-2-methylsulfanylpyrimidine

4-(2-chlorophenyl)-2-methylsulfanylpyrimidine (PubChem CID 57263424) has the molecular formula C11H9ClN2S and a molecular weight of 236.73 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4-(2-chlorophenyl)-2-methylsulfanylpyrimidine
PubChem CID57263424
Molecular FormulaC11H9ClN2S
Molecular Weight236.73 g/mol
Exact Mass236.02
IUPAC Name4-(2-chlorophenyl)-2-methylsulfanylpyrimidine
SMILESCSc1nccc(-c2ccccc2Cl)n1
InChIInChI=1S/C11H9ClN2S/c1-15-11-13-7-6-10(14-11)8-4-2-3-5-9(8)12/h2-7H,1H3
InChIKeyKALXITLBGSMMRQ-UHFFFAOYSA-N
XLogP3.52
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.73
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methylphenyl)-2-methylsulfanylpyrimidine
CID 71185326
[2-(2-methylsulfanylpyrimidin-4-yl)phenyl]methanol
CID 56722954
2-methyl-7-(2-methylsulfanylpyrimidin-4-yl)cyclohepta-2,4,6-trien-1-one
CID 174169434
4-(5-chloro-1H-pyrazol-4-yl)-2-methylsulfanylpyrimidine
CID 121232259
1-[4-(2-chlorophenyl)pyrimidin-2-yl]-2-methylpropan-2-amine
CID 82666279
ethane;3-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine
CID 91440821
2,4-bis(2-chlorophenyl)pyridine
CID 134843363
4-[2-(2,6-dichlorophenyl)-3-hydroxy-5-phenylimidazol-4-yl]-2-methylsulfanylpyrimidine
CID 20829779
5-(2-chlorophenyl)-3-methylsulfanyl-1,2,4-thiadiazole
CID 23086909
4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylsulfanylpyrimidine
CID 71628469
7-(2-methylsulfanylpyrimidin-4-yl)-5H-imidazo[1,2-b]pyrazole
CID 70313324
4-[4-(furan-2-yl)phenyl]-2-methylsulfanylpyrimidine
CID 168527070

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-2-methylsulfanylpyrimidine?
The IUPAC name of 4-(2-chlorophenyl)-2-methylsulfanylpyrimidine (CID 57263424) is 4-(2-chlorophenyl)-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4-(2-chlorophenyl)-2-methylsulfanylpyrimidine?
The canonical SMILES for 4-(2-chlorophenyl)-2-methylsulfanylpyrimidine is CSc1nccc(-c2ccccc2Cl)n1.
What is the InChIKey of 4-(2-chlorophenyl)-2-methylsulfanylpyrimidine?
The InChIKey is KALXITLBGSMMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2S/c1-15-11-13-7-6-10(14-11)8-4-2-3-5-9(8)12/h2-7H,1H3.
What are the key properties of 4-(2-chlorophenyl)-2-methylsulfanylpyrimidine?
4-(2-chlorophenyl)-2-methylsulfanylpyrimidine has a molecular weight of 236.73 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-2-methylsulfanylpyrimidine is sourced from PubChem (CID 57263424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).