4-chloro-6-(4-chlorophenyl)sulfanyl-2,5-dimethylpyrimidine

C12H10Cl2N2S — CID 63728722

IUPAC4-chloro-6-(4-chlorophenyl)sulfanyl-2,5-dimethylpyrimidine
SMILESCc1nc(Cl)c(C)c(Sc2ccc(Cl)cc2)n1
InChIInChI=1S/C12H10Cl2N2S/c1-7-11(14)15-8(2)16-12(7)17-10-5-3-9(13)4-6-10/h3-6H,1-2H3
InChIKeyLHZVOJAIWVWFST-UHFFFAOYSA-N
MW285.20 g/mol
LogP4.55
Rot. Bonds2

About 4-chloro-6-(4-chlorophenyl)sulfanyl-2,5-dimethylpyrimidine

4-chloro-6-(4-chlorophenyl)sulfanyl-2,5-dimethylpyrimidine (PubChem CID 63728722) has the molecular formula C12H10Cl2N2S and a molecular weight of 285.20 g/mol. Its IUPAC name is 4-chloro-6-(4-chlorophenyl)sulfanyl-2,5-dimethylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(4-chlorophenyl)sulfanyl-2,5-dimethylpyrimidine
PubChem CID63728722
Molecular FormulaC12H10Cl2N2S
Molecular Weight285.20 g/mol
Exact Mass283.99
IUPAC Name4-chloro-6-(4-chlorophenyl)sulfanyl-2,5-dimethylpyrimidine
SMILESCc1nc(Cl)c(C)c(Sc2ccc(Cl)cc2)n1
InChIInChI=1S/C12H10Cl2N2S/c1-7-11(14)15-8(2)16-12(7)17-10-5-3-9(13)4-6-10/h3-6H,1-2H3
InChIKeyLHZVOJAIWVWFST-UHFFFAOYSA-N
XLogP4.55
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.20
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-chlorophenyl)sulfanyl-2,5-dimethylpyrimidine?
The IUPAC name of 4-chloro-6-(4-chlorophenyl)sulfanyl-2,5-dimethylpyrimidine (CID 63728722) is 4-chloro-6-(4-chlorophenyl)sulfanyl-2,5-dimethylpyrimidine.
What is the SMILES notation for 4-chloro-6-(4-chlorophenyl)sulfanyl-2,5-dimethylpyrimidine?
The canonical SMILES for 4-chloro-6-(4-chlorophenyl)sulfanyl-2,5-dimethylpyrimidine is Cc1nc(Cl)c(C)c(Sc2ccc(Cl)cc2)n1.
What is the InChIKey of 4-chloro-6-(4-chlorophenyl)sulfanyl-2,5-dimethylpyrimidine?
The InChIKey is LHZVOJAIWVWFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2S/c1-7-11(14)15-8(2)16-12(7)17-10-5-3-9(13)4-6-10/h3-6H,1-2H3.
What are the key properties of 4-chloro-6-(4-chlorophenyl)sulfanyl-2,5-dimethylpyrimidine?
4-chloro-6-(4-chlorophenyl)sulfanyl-2,5-dimethylpyrimidine has a molecular weight of 285.20 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-chlorophenyl)sulfanyl-2,5-dimethylpyrimidine is sourced from PubChem (CID 63728722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).