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

C12H10BrClN2S — CID 55229709

IUPAC4-(2-bromophenyl)sulfanyl-6-chloro-2,5-dimethylpyrimidine
SMILESCc1nc(Cl)c(C)c(Sc2ccccc2Br)n1
InChIInChI=1S/C12H10BrClN2S/c1-7-11(14)15-8(2)16-12(7)17-10-6-4-3-5-9(10)13/h3-6H,1-2H3
InChIKeySZISXDFCQKBMRL-UHFFFAOYSA-N
MW329.65 g/mol
LogP4.66
Rot. Bonds2

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

4-(2-bromophenyl)sulfanyl-6-chloro-2,5-dimethylpyrimidine (PubChem CID 55229709) has the molecular formula C12H10BrClN2S and a molecular weight of 329.65 g/mol. Its IUPAC name is 4-(2-bromophenyl)sulfanyl-6-chloro-2,5-dimethylpyrimidine.

Molecular Properties

Compound Name4-(2-bromophenyl)sulfanyl-6-chloro-2,5-dimethylpyrimidine
PubChem CID55229709
Molecular FormulaC12H10BrClN2S
Molecular Weight329.65 g/mol
Exact Mass327.94
IUPAC Name4-(2-bromophenyl)sulfanyl-6-chloro-2,5-dimethylpyrimidine
SMILESCc1nc(Cl)c(C)c(Sc2ccccc2Br)n1
InChIInChI=1S/C12H10BrClN2S/c1-7-11(14)15-8(2)16-12(7)17-10-6-4-3-5-9(10)13/h3-6H,1-2H3
InChIKeySZISXDFCQKBMRL-UHFFFAOYSA-N
XLogP4.66
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.65
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)sulfanyl-6-chloro-2,5-dimethylpyrimidine?
The IUPAC name of 4-(2-bromophenyl)sulfanyl-6-chloro-2,5-dimethylpyrimidine (CID 55229709) is 4-(2-bromophenyl)sulfanyl-6-chloro-2,5-dimethylpyrimidine.
What is the SMILES notation for 4-(2-bromophenyl)sulfanyl-6-chloro-2,5-dimethylpyrimidine?
The canonical SMILES for 4-(2-bromophenyl)sulfanyl-6-chloro-2,5-dimethylpyrimidine is Cc1nc(Cl)c(C)c(Sc2ccccc2Br)n1.
What is the InChIKey of 4-(2-bromophenyl)sulfanyl-6-chloro-2,5-dimethylpyrimidine?
The InChIKey is SZISXDFCQKBMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2S/c1-7-11(14)15-8(2)16-12(7)17-10-6-4-3-5-9(10)13/h3-6H,1-2H3.
What are the key properties of 4-(2-bromophenyl)sulfanyl-6-chloro-2,5-dimethylpyrimidine?
4-(2-bromophenyl)sulfanyl-6-chloro-2,5-dimethylpyrimidine has a molecular weight of 329.65 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)sulfanyl-6-chloro-2,5-dimethylpyrimidine is sourced from PubChem (CID 55229709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).