4-chloro-6-(2,5-dichlorophenyl)sulfanyl-2-ethyl-5-methylpyrimidine

C13H11Cl3N2S — CID 80978191

IUPAC4-chloro-6-(2,5-dichlorophenyl)sulfanyl-2-ethyl-5-methylpyrimidine
SMILESCCc1nc(Cl)c(C)c(Sc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C13H11Cl3N2S/c1-3-11-17-12(16)7(2)13(18-11)19-10-6-8(14)4-5-9(10)15/h4-6H,3H2,1-2H3
InChIKeyCNRODRLZWFZVQO-UHFFFAOYSA-N
MW333.67 g/mol
LogP5.46
Rot. Bonds3

About 4-chloro-6-(2,5-dichlorophenyl)sulfanyl-2-ethyl-5-methylpyrimidine

4-chloro-6-(2,5-dichlorophenyl)sulfanyl-2-ethyl-5-methylpyrimidine (PubChem CID 80978191) has the molecular formula C13H11Cl3N2S and a molecular weight of 333.67 g/mol. Its IUPAC name is 4-chloro-6-(2,5-dichlorophenyl)sulfanyl-2-ethyl-5-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2,5-dichlorophenyl)sulfanyl-2-ethyl-5-methylpyrimidine
PubChem CID80978191
Molecular FormulaC13H11Cl3N2S
Molecular Weight333.67 g/mol
Exact Mass331.97
IUPAC Name4-chloro-6-(2,5-dichlorophenyl)sulfanyl-2-ethyl-5-methylpyrimidine
SMILESCCc1nc(Cl)c(C)c(Sc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C13H11Cl3N2S/c1-3-11-17-12(16)7(2)13(18-11)19-10-6-8(14)4-5-9(10)15/h4-6H,3H2,1-2H3
InChIKeyCNRODRLZWFZVQO-UHFFFAOYSA-N
XLogP5.46
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.67
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2,5-dichlorophenyl)sulfanyl-5-methyl-2-propylpyrimidin-4-amine
CID 80989994
4-chloro-2-ethyl-5-methyl-6-(2-methylphenyl)sulfanylpyrimidine
CID 80977646
4-chloro-6-(2,5-dichlorophenoxy)-2-ethyl-5-methylpyrimidine
CID 80974212
4-chloro-6-(4-chloro-2-fluorophenyl)-2-ethyl-5-methylpyrimidine
CID 80975131
2-cyclopropyl-6-(2,5-dichlorophenyl)sulfanyl-5-methylpyrimidin-4-amine
CID 80990216
4-chloro-6-(2,5-dichlorophenyl)sulfanyl-2-methylpyrimidine-5-carbaldehyde
CID 80726765
4-chloro-2-ethyl-5-methyl-6-thiophen-2-ylsulfanylpyrimidine
CID 80978184
4-chloro-6-(4-chlorophenyl)-2-ethyl-5-methylpyrimidine
CID 80974653
6-chloro-N-(3-chloro-4-fluorophenyl)-2-ethyl-5-methylpyrimidin-4-amine
CID 80974136
4-chloro-2-ethyl-6-fluoro-5-methylpyrimidine
CID 143740717
[6-(2,5-dichlorophenyl)sulfanyl-3,5-difluoro-2-pyridinyl]hydrazine
CID 114073884
4-chloro-2-ethyl-5,6-dimethylpyrimidine
CID 21039945

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,5-dichlorophenyl)sulfanyl-2-ethyl-5-methylpyrimidine?
The IUPAC name of 4-chloro-6-(2,5-dichlorophenyl)sulfanyl-2-ethyl-5-methylpyrimidine (CID 80978191) is 4-chloro-6-(2,5-dichlorophenyl)sulfanyl-2-ethyl-5-methylpyrimidine.
What is the SMILES notation for 4-chloro-6-(2,5-dichlorophenyl)sulfanyl-2-ethyl-5-methylpyrimidine?
The canonical SMILES for 4-chloro-6-(2,5-dichlorophenyl)sulfanyl-2-ethyl-5-methylpyrimidine is CCc1nc(Cl)c(C)c(Sc2cc(Cl)ccc2Cl)n1.
What is the InChIKey of 4-chloro-6-(2,5-dichlorophenyl)sulfanyl-2-ethyl-5-methylpyrimidine?
The InChIKey is CNRODRLZWFZVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl3N2S/c1-3-11-17-12(16)7(2)13(18-11)19-10-6-8(14)4-5-9(10)15/h4-6H,3H2,1-2H3.
What are the key properties of 4-chloro-6-(2,5-dichlorophenyl)sulfanyl-2-ethyl-5-methylpyrimidine?
4-chloro-6-(2,5-dichlorophenyl)sulfanyl-2-ethyl-5-methylpyrimidine has a molecular weight of 333.67 g/mol, XLogP of 5.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,5-dichlorophenyl)sulfanyl-2-ethyl-5-methylpyrimidine is sourced from PubChem (CID 80978191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).