2-(5-bromo-2,6-dimethoxypyrimidin-4-yl)ethanol

C8H11BrN2O3 — CID 83866891

IUPAC2-(5-bromo-2,6-dimethoxypyrimidin-4-yl)ethanol
SMILESCOc1nc(CCO)c(Br)c(OC)n1
InChIInChI=1S/C8H11BrN2O3/c1-13-7-6(9)5(3-4-12)10-8(11-7)14-2/h12H,3-4H2,1-2H3
InChIKeyOWNYOWTZNKARBQ-UHFFFAOYSA-N
MW263.09 g/mol
LogP0.79
Rot. Bonds4

About 2-(5-bromo-2,6-dimethoxypyrimidin-4-yl)ethanol

2-(5-bromo-2,6-dimethoxypyrimidin-4-yl)ethanol (PubChem CID 83866891) has the molecular formula C8H11BrN2O3 and a molecular weight of 263.09 g/mol. Its IUPAC name is 2-(5-bromo-2,6-dimethoxypyrimidin-4-yl)ethanol.

Molecular Properties

Compound Name2-(5-bromo-2,6-dimethoxypyrimidin-4-yl)ethanol
PubChem CID83866891
Molecular FormulaC8H11BrN2O3
Molecular Weight263.09 g/mol
Exact Mass262.00
IUPAC Name2-(5-bromo-2,6-dimethoxypyrimidin-4-yl)ethanol
SMILESCOc1nc(CCO)c(Br)c(OC)n1
InChIInChI=1S/C8H11BrN2O3/c1-13-7-6(9)5(3-4-12)10-8(11-7)14-2/h12H,3-4H2,1-2H3
InChIKeyOWNYOWTZNKARBQ-UHFFFAOYSA-N
XLogP0.79
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.09
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,6-dimethoxypyrimidin-4-yl)ethanol?
The IUPAC name of 2-(5-bromo-2,6-dimethoxypyrimidin-4-yl)ethanol (CID 83866891) is 2-(5-bromo-2,6-dimethoxypyrimidin-4-yl)ethanol.
What is the SMILES notation for 2-(5-bromo-2,6-dimethoxypyrimidin-4-yl)ethanol?
The canonical SMILES for 2-(5-bromo-2,6-dimethoxypyrimidin-4-yl)ethanol is COc1nc(CCO)c(Br)c(OC)n1.
What is the InChIKey of 2-(5-bromo-2,6-dimethoxypyrimidin-4-yl)ethanol?
The InChIKey is OWNYOWTZNKARBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O3/c1-13-7-6(9)5(3-4-12)10-8(11-7)14-2/h12H,3-4H2,1-2H3.
What are the key properties of 2-(5-bromo-2,6-dimethoxypyrimidin-4-yl)ethanol?
2-(5-bromo-2,6-dimethoxypyrimidin-4-yl)ethanol has a molecular weight of 263.09 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2,6-dimethoxypyrimidin-4-yl)ethanol is sourced from PubChem (CID 83866891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).