5-bromo-2,4-bis(ethylsulfanyl)-6-methylpyrimidine

C9H13BrN2S2 — CID 13303537

IUPAC5-bromo-2,4-bis(ethylsulfanyl)-6-methylpyrimidine
SMILESCCSc1nc(C)c(Br)c(SCC)n1
InChIInChI=1S/C9H13BrN2S2/c1-4-13-8-7(10)6(3)11-9(12-8)14-5-2/h4-5H2,1-3H3
InChIKeyBMVJXNZFTVMULM-UHFFFAOYSA-N
MW293.26 g/mol
LogP3.77
Rot. Bonds4

About 5-bromo-2,4-bis(ethylsulfanyl)-6-methylpyrimidine

5-bromo-2,4-bis(ethylsulfanyl)-6-methylpyrimidine (PubChem CID 13303537) has the molecular formula C9H13BrN2S2 and a molecular weight of 293.26 g/mol. Its IUPAC name is 5-bromo-2,4-bis(ethylsulfanyl)-6-methylpyrimidine.

Molecular Properties

Compound Name5-bromo-2,4-bis(ethylsulfanyl)-6-methylpyrimidine
PubChem CID13303537
Molecular FormulaC9H13BrN2S2
Molecular Weight293.26 g/mol
Exact Mass291.97
IUPAC Name5-bromo-2,4-bis(ethylsulfanyl)-6-methylpyrimidine
SMILESCCSc1nc(C)c(Br)c(SCC)n1
InChIInChI=1S/C9H13BrN2S2/c1-4-13-8-7(10)6(3)11-9(12-8)14-5-2/h4-5H2,1-3H3
InChIKeyBMVJXNZFTVMULM-UHFFFAOYSA-N
XLogP3.77
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.26
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,4-bis(ethylsulfanyl)-6-methylpyrimidine?
The IUPAC name of 5-bromo-2,4-bis(ethylsulfanyl)-6-methylpyrimidine (CID 13303537) is 5-bromo-2,4-bis(ethylsulfanyl)-6-methylpyrimidine.
What is the SMILES notation for 5-bromo-2,4-bis(ethylsulfanyl)-6-methylpyrimidine?
The canonical SMILES for 5-bromo-2,4-bis(ethylsulfanyl)-6-methylpyrimidine is CCSc1nc(C)c(Br)c(SCC)n1.
What is the InChIKey of 5-bromo-2,4-bis(ethylsulfanyl)-6-methylpyrimidine?
The InChIKey is BMVJXNZFTVMULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2S2/c1-4-13-8-7(10)6(3)11-9(12-8)14-5-2/h4-5H2,1-3H3.
What are the key properties of 5-bromo-2,4-bis(ethylsulfanyl)-6-methylpyrimidine?
5-bromo-2,4-bis(ethylsulfanyl)-6-methylpyrimidine has a molecular weight of 293.26 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,4-bis(ethylsulfanyl)-6-methylpyrimidine is sourced from PubChem (CID 13303537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).