5-bromo-2-ethylpyrimidine

C6H7BrN2 — CID 25150069

IUPAC5-bromo-2-ethylpyrimidine
SMILESCCc1ncc(Br)cn1
InChIInChI=1S/C6H7BrN2/c1-2-6-8-3-5(7)4-9-6/h3-4H,2H2,1H3
InChIKeySQOJDBHJUUGQJP-UHFFFAOYSA-N
MW187.04 g/mol
LogP1.80
Rot. Bonds1

About 5-bromo-2-ethylpyrimidine

5-bromo-2-ethylpyrimidine (PubChem CID 25150069) has the molecular formula C6H7BrN2 and a molecular weight of 187.04 g/mol. Its IUPAC name is 5-bromo-2-ethylpyrimidine.

Molecular Properties

Compound Name5-bromo-2-ethylpyrimidine
PubChem CID25150069
Molecular FormulaC6H7BrN2
Molecular Weight187.04 g/mol
Exact Mass185.98
IUPAC Name5-bromo-2-ethylpyrimidine
SMILESCCc1ncc(Br)cn1
InChIInChI=1S/C6H7BrN2/c1-2-6-8-3-5(7)4-9-6/h3-4H,2H2,1H3
InChIKeySQOJDBHJUUGQJP-UHFFFAOYSA-N
XLogP1.80
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.04
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethylpyrimidine?
The IUPAC name of 5-bromo-2-ethylpyrimidine (CID 25150069) is 5-bromo-2-ethylpyrimidine.
What is the SMILES notation for 5-bromo-2-ethylpyrimidine?
The canonical SMILES for 5-bromo-2-ethylpyrimidine is CCc1ncc(Br)cn1.
What is the InChIKey of 5-bromo-2-ethylpyrimidine?
The InChIKey is SQOJDBHJUUGQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2/c1-2-6-8-3-5(7)4-9-6/h3-4H,2H2,1H3.
What are the key properties of 5-bromo-2-ethylpyrimidine?
5-bromo-2-ethylpyrimidine has a molecular weight of 187.04 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-ethylpyrimidine is sourced from PubChem (CID 25150069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).