5-bromo-4-chloro-2-ethyl-6-methylpyrimidine

C7H8BrClN2 — CID 66292312

IUPAC5-bromo-4-chloro-2-ethyl-6-methylpyrimidine
SMILESCCc1nc(C)c(Br)c(Cl)n1
InChIInChI=1S/C7H8BrClN2/c1-3-5-10-4(2)6(8)7(9)11-5/h3H2,1-2H3
InChIKeyFITJGRLJKHPNFG-UHFFFAOYSA-N
MW235.51 g/mol
LogP2.76
Rot. Bonds1

About 5-bromo-4-chloro-2-ethyl-6-methylpyrimidine

5-bromo-4-chloro-2-ethyl-6-methylpyrimidine (PubChem CID 66292312) has the molecular formula C7H8BrClN2 and a molecular weight of 235.51 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-ethyl-6-methylpyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-2-ethyl-6-methylpyrimidine
PubChem CID66292312
Molecular FormulaC7H8BrClN2
Molecular Weight235.51 g/mol
Exact Mass233.96
IUPAC Name5-bromo-4-chloro-2-ethyl-6-methylpyrimidine
SMILESCCc1nc(C)c(Br)c(Cl)n1
InChIInChI=1S/C7H8BrClN2/c1-3-5-10-4(2)6(8)7(9)11-5/h3H2,1-2H3
InChIKeyFITJGRLJKHPNFG-UHFFFAOYSA-N
XLogP2.76
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.51
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-ethyl-6-methylpyrimidine?
The IUPAC name of 5-bromo-4-chloro-2-ethyl-6-methylpyrimidine (CID 66292312) is 5-bromo-4-chloro-2-ethyl-6-methylpyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-2-ethyl-6-methylpyrimidine?
The canonical SMILES for 5-bromo-4-chloro-2-ethyl-6-methylpyrimidine is CCc1nc(C)c(Br)c(Cl)n1.
What is the InChIKey of 5-bromo-4-chloro-2-ethyl-6-methylpyrimidine?
The InChIKey is FITJGRLJKHPNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrClN2/c1-3-5-10-4(2)6(8)7(9)11-5/h3H2,1-2H3.
What are the key properties of 5-bromo-4-chloro-2-ethyl-6-methylpyrimidine?
5-bromo-4-chloro-2-ethyl-6-methylpyrimidine has a molecular weight of 235.51 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2-ethyl-6-methylpyrimidine is sourced from PubChem (CID 66292312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).