5-bromo-2,4-diethoxypyrimidine

C8H11BrN2O2 — CID 14776516

IUPAC5-bromo-2,4-diethoxypyrimidine
SMILESCCOc1ncc(Br)c(OCC)n1
InChIInChI=1S/C8H11BrN2O2/c1-3-12-7-6(9)5-10-8(11-7)13-4-2/h5H,3-4H2,1-2H3
InChIKeyZCDUGAGUVHOMPG-UHFFFAOYSA-N
MW247.09 g/mol
LogP2.04
Rot. Bonds4

About 5-bromo-2,4-diethoxypyrimidine

5-bromo-2,4-diethoxypyrimidine (PubChem CID 14776516) has the molecular formula C8H11BrN2O2 and a molecular weight of 247.09 g/mol. Its IUPAC name is 5-bromo-2,4-diethoxypyrimidine.

Molecular Properties

Compound Name5-bromo-2,4-diethoxypyrimidine
PubChem CID14776516
Molecular FormulaC8H11BrN2O2
Molecular Weight247.09 g/mol
Exact Mass246.00
IUPAC Name5-bromo-2,4-diethoxypyrimidine
SMILESCCOc1ncc(Br)c(OCC)n1
InChIInChI=1S/C8H11BrN2O2/c1-3-12-7-6(9)5-10-8(11-7)13-4-2/h5H,3-4H2,1-2H3
InChIKeyZCDUGAGUVHOMPG-UHFFFAOYSA-N
XLogP2.04
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.09
LogP ≤ 52.04
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-diethoxypyrimidine?
The IUPAC name of 5-bromo-2,4-diethoxypyrimidine (CID 14776516) is 5-bromo-2,4-diethoxypyrimidine.
What is the SMILES notation for 5-bromo-2,4-diethoxypyrimidine?
The canonical SMILES for 5-bromo-2,4-diethoxypyrimidine is CCOc1ncc(Br)c(OCC)n1.
What is the InChIKey of 5-bromo-2,4-diethoxypyrimidine?
The InChIKey is ZCDUGAGUVHOMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O2/c1-3-12-7-6(9)5-10-8(11-7)13-4-2/h5H,3-4H2,1-2H3.
What are the key properties of 5-bromo-2,4-diethoxypyrimidine?
5-bromo-2,4-diethoxypyrimidine has a molecular weight of 247.09 g/mol, XLogP of 2.04, 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-diethoxypyrimidine is sourced from PubChem (CID 14776516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).