5-bromo-2,4-dimethyl-6-methylsulfanylpyrimidine

C7H9BrN2S — CID 130639451

IUPAC5-bromo-2,4-dimethyl-6-methylsulfanylpyrimidine
SMILESCSc1nc(C)nc(C)c1Br
InChIInChI=1S/C7H9BrN2S/c1-4-6(8)7(11-3)10-5(2)9-4/h1-3H3
InChIKeySWUUSSJQSJIAIQ-UHFFFAOYSA-N
MW233.13 g/mol
LogP2.58
Rot. Bonds1

About 5-bromo-2,4-dimethyl-6-methylsulfanylpyrimidine

5-bromo-2,4-dimethyl-6-methylsulfanylpyrimidine (PubChem CID 130639451) has the molecular formula C7H9BrN2S and a molecular weight of 233.13 g/mol. Its IUPAC name is 5-bromo-2,4-dimethyl-6-methylsulfanylpyrimidine.

Molecular Properties

Compound Name5-bromo-2,4-dimethyl-6-methylsulfanylpyrimidine
PubChem CID130639451
Molecular FormulaC7H9BrN2S
Molecular Weight233.13 g/mol
Exact Mass231.97
IUPAC Name5-bromo-2,4-dimethyl-6-methylsulfanylpyrimidine
SMILESCSc1nc(C)nc(C)c1Br
InChIInChI=1S/C7H9BrN2S/c1-4-6(8)7(11-3)10-5(2)9-4/h1-3H3
InChIKeySWUUSSJQSJIAIQ-UHFFFAOYSA-N
XLogP2.58
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.13
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-Bromo-4-methyl-6-methylsulfanyl-pyrimidin-2-yl)-acetamide
CID 767988
Pyrimidine, 2,4-dimethyl-6-methylthio-
CID 13167816
4,5-Dimethyl-2,6-bis(methylsulfanyl)pyrimidine
CID 10013038
2-Cyclopropyl-5-fluoro-4-methyl-6-methylsulfanylpyrimidine
CID 126992012
5-Bromo-4-methylsulfanyl-6-(trifluoromethyl)pyrimidine
CID 129949092
4-Bromo-2-methyl-5-methylsulfanyl-6-(trifluoromethyl)pyrimidine
CID 172414709
5-Bromo-4-methyl-6-(methylsulfanyl)pyrimidin-2-amine
CID 237635
5-Bromo-6-methyl-2-methylsulfanylpyrimidin-4-amine
CID 262508
5-Bromo-4-methyl-2,6-bis(methylsulfonyl)pyrimidine
CID 20036808
2-Cyclopropyl-4,5-dimethyl-6-methylsulfanylpyrimidine
CID 68094303
2-Chloro-4,5-dimethyl-6-methylsulfanylpyrimidine
CID 88589832
4-Ethenylsulfanyl-2,5,6-trimethylpyrimidine
CID 168905294

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,4-dimethyl-6-methylsulfanylpyrimidine?
The IUPAC name of 5-bromo-2,4-dimethyl-6-methylsulfanylpyrimidine (CID 130639451) is 5-bromo-2,4-dimethyl-6-methylsulfanylpyrimidine.
What is the SMILES notation for 5-bromo-2,4-dimethyl-6-methylsulfanylpyrimidine?
The canonical SMILES for 5-bromo-2,4-dimethyl-6-methylsulfanylpyrimidine is CSc1nc(C)nc(C)c1Br.
What is the InChIKey of 5-bromo-2,4-dimethyl-6-methylsulfanylpyrimidine?
The InChIKey is SWUUSSJQSJIAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2S/c1-4-6(8)7(11-3)10-5(2)9-4/h1-3H3.
What are the key properties of 5-bromo-2,4-dimethyl-6-methylsulfanylpyrimidine?
5-bromo-2,4-dimethyl-6-methylsulfanylpyrimidine has a molecular weight of 233.13 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,4-dimethyl-6-methylsulfanylpyrimidine is sourced from PubChem (CID 130639451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).