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

C8H12N2O3 — CID 15450835

IUPAC2-(2,4-dimethoxypyrimidin-5-yl)ethanol
SMILESCOc1ncc(CCO)c(OC)n1
InChIInChI=1S/C8H12N2O3/c1-12-7-6(3-4-11)5-9-8(10-7)13-2/h5,11H,3-4H2,1-2H3
InChIKeyQULQVQVEOAJKBW-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.03
Rot. Bonds4

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

2-(2,4-dimethoxypyrimidin-5-yl)ethanol (PubChem CID 15450835) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 2-(2,4-dimethoxypyrimidin-5-yl)ethanol.

Molecular Properties

Compound Name2-(2,4-dimethoxypyrimidin-5-yl)ethanol
PubChem CID15450835
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name2-(2,4-dimethoxypyrimidin-5-yl)ethanol
SMILESCOc1ncc(CCO)c(OC)n1
InChIInChI=1S/C8H12N2O3/c1-12-7-6(3-4-11)5-9-8(10-7)13-2/h5,11H,3-4H2,1-2H3
InChIKeyQULQVQVEOAJKBW-UHFFFAOYSA-N
XLogP0.03
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxypyrimidin-5-yl)ethanol?
The IUPAC name of 2-(2,4-dimethoxypyrimidin-5-yl)ethanol (CID 15450835) is 2-(2,4-dimethoxypyrimidin-5-yl)ethanol.
What is the SMILES notation for 2-(2,4-dimethoxypyrimidin-5-yl)ethanol?
The canonical SMILES for 2-(2,4-dimethoxypyrimidin-5-yl)ethanol is COc1ncc(CCO)c(OC)n1.
What is the InChIKey of 2-(2,4-dimethoxypyrimidin-5-yl)ethanol?
The InChIKey is QULQVQVEOAJKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-12-7-6(3-4-11)5-9-8(10-7)13-2/h5,11H,3-4H2,1-2H3.
What are the key properties of 2-(2,4-dimethoxypyrimidin-5-yl)ethanol?
2-(2,4-dimethoxypyrimidin-5-yl)ethanol has a molecular weight of 184.19 g/mol, XLogP of 0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxypyrimidin-5-yl)ethanol is sourced from PubChem (CID 15450835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).