5-bromo-2-ethyl-4-methylpyrimidine

C7H9BrN2 — CID 82374727

IUPAC5-bromo-2-ethyl-4-methylpyrimidine
SMILESCCc1ncc(Br)c(C)n1
InChIInChI=1S/C7H9BrN2/c1-3-7-9-4-6(8)5(2)10-7/h4H,3H2,1-2H3
InChIKeyBXJQHNXHHVRGKZ-UHFFFAOYSA-N
MW201.07 g/mol
LogP2.11
Rot. Bonds1

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

5-bromo-2-ethyl-4-methylpyrimidine (PubChem CID 82374727) has the molecular formula C7H9BrN2 and a molecular weight of 201.07 g/mol. Its IUPAC name is 5-bromo-2-ethyl-4-methylpyrimidine.

Molecular Properties

Compound Name5-bromo-2-ethyl-4-methylpyrimidine
PubChem CID82374727
Molecular FormulaC7H9BrN2
Molecular Weight201.07 g/mol
Exact Mass199.99
IUPAC Name5-bromo-2-ethyl-4-methylpyrimidine
SMILESCCc1ncc(Br)c(C)n1
InChIInChI=1S/C7H9BrN2/c1-3-7-9-4-6(8)5(2)10-7/h4H,3H2,1-2H3
InChIKeyBXJQHNXHHVRGKZ-UHFFFAOYSA-N
XLogP2.11
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.07
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethyl-4-methylpyrimidine?
The IUPAC name of 5-bromo-2-ethyl-4-methylpyrimidine (CID 82374727) is 5-bromo-2-ethyl-4-methylpyrimidine.
What is the SMILES notation for 5-bromo-2-ethyl-4-methylpyrimidine?
The canonical SMILES for 5-bromo-2-ethyl-4-methylpyrimidine is CCc1ncc(Br)c(C)n1.
What is the InChIKey of 5-bromo-2-ethyl-4-methylpyrimidine?
The InChIKey is BXJQHNXHHVRGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2/c1-3-7-9-4-6(8)5(2)10-7/h4H,3H2,1-2H3.
What are the key properties of 5-bromo-2-ethyl-4-methylpyrimidine?
5-bromo-2-ethyl-4-methylpyrimidine has a molecular weight of 201.07 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-ethyl-4-methylpyrimidine is sourced from PubChem (CID 82374727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).