4,6-dibromo-2-(1-ethoxybutyl)pyrimidine

C10H14Br2N2O — CID 116706762

IUPAC4,6-dibromo-2-(1-ethoxybutyl)pyrimidine
SMILESCCCC(OCC)c1nc(Br)cc(Br)n1
InChIInChI=1S/C10H14Br2N2O/c1-3-5-7(15-4-2)10-13-8(11)6-9(12)14-10/h6-7H,3-5H2,1-2H3
InChIKeyZLQOFIPUGOGKEJ-UHFFFAOYSA-N
MW338.04 g/mol
LogP3.88
Rot. Bonds5

About 4,6-dibromo-2-(1-ethoxybutyl)pyrimidine

4,6-dibromo-2-(1-ethoxybutyl)pyrimidine (PubChem CID 116706762) has the molecular formula C10H14Br2N2O and a molecular weight of 338.04 g/mol. Its IUPAC name is 4,6-dibromo-2-(1-ethoxybutyl)pyrimidine.

Molecular Properties

Compound Name4,6-dibromo-2-(1-ethoxybutyl)pyrimidine
PubChem CID116706762
Molecular FormulaC10H14Br2N2O
Molecular Weight338.04 g/mol
Exact Mass335.95
IUPAC Name4,6-dibromo-2-(1-ethoxybutyl)pyrimidine
SMILESCCCC(OCC)c1nc(Br)cc(Br)n1
InChIInChI=1S/C10H14Br2N2O/c1-3-5-7(15-4-2)10-13-8(11)6-9(12)14-10/h6-7H,3-5H2,1-2H3
InChIKeyZLQOFIPUGOGKEJ-UHFFFAOYSA-N
XLogP3.88
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.04
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dibromo-2-(1-ethoxybutyl)pyrimidine?
The IUPAC name of 4,6-dibromo-2-(1-ethoxybutyl)pyrimidine (CID 116706762) is 4,6-dibromo-2-(1-ethoxybutyl)pyrimidine.
What is the SMILES notation for 4,6-dibromo-2-(1-ethoxybutyl)pyrimidine?
The canonical SMILES for 4,6-dibromo-2-(1-ethoxybutyl)pyrimidine is CCCC(OCC)c1nc(Br)cc(Br)n1.
What is the InChIKey of 4,6-dibromo-2-(1-ethoxybutyl)pyrimidine?
The InChIKey is ZLQOFIPUGOGKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Br2N2O/c1-3-5-7(15-4-2)10-13-8(11)6-9(12)14-10/h6-7H,3-5H2,1-2H3.
What are the key properties of 4,6-dibromo-2-(1-ethoxybutyl)pyrimidine?
4,6-dibromo-2-(1-ethoxybutyl)pyrimidine has a molecular weight of 338.04 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dibromo-2-(1-ethoxybutyl)pyrimidine is sourced from PubChem (CID 116706762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).