5-bromo-4-chloro-2-(5,6-dimethyl-1,4-dithian-2-yl)-6-methylpyrimidine

C11H14BrClN2S2 — CID 103344676

IUPAC5-bromo-4-chloro-2-(5,6-dimethyl-1,4-dithian-2-yl)-6-methylpyrimidine
SMILESCc1nc(C2CSC(C)C(C)S2)nc(Cl)c1Br
InChIInChI=1S/C11H14BrClN2S2/c1-5-9(12)10(13)15-11(14-5)8-4-16-6(2)7(3)17-8/h6-8H,4H2,1-3H3
InChIKeyZRNQIKLTCLMKLB-UHFFFAOYSA-N
MW353.74 g/mol
LogP4.50
Rot. Bonds1

About 5-bromo-4-chloro-2-(5,6-dimethyl-1,4-dithian-2-yl)-6-methylpyrimidine

5-bromo-4-chloro-2-(5,6-dimethyl-1,4-dithian-2-yl)-6-methylpyrimidine (PubChem CID 103344676) has the molecular formula C11H14BrClN2S2 and a molecular weight of 353.74 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-(5,6-dimethyl-1,4-dithian-2-yl)-6-methylpyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-2-(5,6-dimethyl-1,4-dithian-2-yl)-6-methylpyrimidine
PubChem CID103344676
Molecular FormulaC11H14BrClN2S2
Molecular Weight353.74 g/mol
Exact Mass351.95
IUPAC Name5-bromo-4-chloro-2-(5,6-dimethyl-1,4-dithian-2-yl)-6-methylpyrimidine
SMILESCc1nc(C2CSC(C)C(C)S2)nc(Cl)c1Br
InChIInChI=1S/C11H14BrClN2S2/c1-5-9(12)10(13)15-11(14-5)8-4-16-6(2)7(3)17-8/h6-8H,4H2,1-3H3
InChIKeyZRNQIKLTCLMKLB-UHFFFAOYSA-N
XLogP4.50
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.74
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(5,6-dimethyl-1,4-dithian-2-yl)-N,6-dimethylpyrimidin-4-amine
CID 103346631
5-bromo-3-(5,6-dimethyl-1,4-dithian-2-yl)-1,2,4-thiadiazole
CID 103347020
5-bromo-6-tert-butyl-2-(5,6-dimethyl-1,4-dithian-2-yl)pyrimidin-4-amine
CID 103346644
3-[2-(5,6-dimethyl-1,4-dithian-2-yl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine
CID 103346829
5-bromo-4-chloro-6-methyl-2-(4-methylcyclohexyl)pyrimidine
CID 66293541
5-bromo-2-(5,6-dimethyl-1,4-dithian-2-yl)-6-(2-methylpropyl)pyrimidin-4-amine
CID 103346682
2-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethyl-6-methyl-5-propan-2-ylpyrimidin-4-amine
CID 103346617
1-[2-(5,6-dimethyl-1,4-dithian-2-yl)-4-methylpyrimidin-5-yl]ethanone
CID 103346778
3-(5,6-dimethyl-1,4-dithian-2-yl)-5-ethenyl-1,2,4-oxadiazole
CID 103344280
5-bromo-2-(4-tert-butylcyclohexyl)-4-chloro-6-methylpyrimidine
CID 66293950
5-bromo-2-(5,6-dimethyl-1,4-dithian-2-yl)-4-ethyl-1H-pyrimidin-6-one
CID 136831444
4-(chloromethyl)-2-(5,6-dimethyl-1,4-dithian-2-yl)pyrimidine
CID 103346814

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-(5,6-dimethyl-1,4-dithian-2-yl)-6-methylpyrimidine?
The IUPAC name of 5-bromo-4-chloro-2-(5,6-dimethyl-1,4-dithian-2-yl)-6-methylpyrimidine (CID 103344676) is 5-bromo-4-chloro-2-(5,6-dimethyl-1,4-dithian-2-yl)-6-methylpyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-2-(5,6-dimethyl-1,4-dithian-2-yl)-6-methylpyrimidine?
The canonical SMILES for 5-bromo-4-chloro-2-(5,6-dimethyl-1,4-dithian-2-yl)-6-methylpyrimidine is Cc1nc(C2CSC(C)C(C)S2)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-2-(5,6-dimethyl-1,4-dithian-2-yl)-6-methylpyrimidine?
The InChIKey is ZRNQIKLTCLMKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2S2/c1-5-9(12)10(13)15-11(14-5)8-4-16-6(2)7(3)17-8/h6-8H,4H2,1-3H3.
What are the key properties of 5-bromo-4-chloro-2-(5,6-dimethyl-1,4-dithian-2-yl)-6-methylpyrimidine?
5-bromo-4-chloro-2-(5,6-dimethyl-1,4-dithian-2-yl)-6-methylpyrimidine has a molecular weight of 353.74 g/mol, XLogP of 4.50, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2-(5,6-dimethyl-1,4-dithian-2-yl)-6-methylpyrimidine is sourced from PubChem (CID 103344676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).