2-(4,5,6-trimethylpyrimidin-2-yl)ethanol

C9H14N2O — CID 105433107

IUPAC2-(4,5,6-trimethylpyrimidin-2-yl)ethanol
SMILESCc1nc(CCO)nc(C)c1C
InChIInChI=1S/C9H14N2O/c1-6-7(2)10-9(4-5-12)11-8(6)3/h12H,4-5H2,1-3H3
InChIKeySEXSKOIILWTHIR-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.94
Rot. Bonds2

About 2-(4,5,6-trimethylpyrimidin-2-yl)ethanol

2-(4,5,6-trimethylpyrimidin-2-yl)ethanol (PubChem CID 105433107) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-(4,5,6-trimethylpyrimidin-2-yl)ethanol.

Molecular Properties

Compound Name2-(4,5,6-trimethylpyrimidin-2-yl)ethanol
PubChem CID105433107
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2-(4,5,6-trimethylpyrimidin-2-yl)ethanol
SMILESCc1nc(CCO)nc(C)c1C
InChIInChI=1S/C9H14N2O/c1-6-7(2)10-9(4-5-12)11-8(6)3/h12H,4-5H2,1-3H3
InChIKeySEXSKOIILWTHIR-UHFFFAOYSA-N
XLogP0.94
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5,6-trimethylpyrimidin-2-yl)ethanol?
The IUPAC name of 2-(4,5,6-trimethylpyrimidin-2-yl)ethanol (CID 105433107) is 2-(4,5,6-trimethylpyrimidin-2-yl)ethanol.
What is the SMILES notation for 2-(4,5,6-trimethylpyrimidin-2-yl)ethanol?
The canonical SMILES for 2-(4,5,6-trimethylpyrimidin-2-yl)ethanol is Cc1nc(CCO)nc(C)c1C.
What is the InChIKey of 2-(4,5,6-trimethylpyrimidin-2-yl)ethanol?
The InChIKey is SEXSKOIILWTHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-6-7(2)10-9(4-5-12)11-8(6)3/h12H,4-5H2,1-3H3.
What are the key properties of 2-(4,5,6-trimethylpyrimidin-2-yl)ethanol?
2-(4,5,6-trimethylpyrimidin-2-yl)ethanol has a molecular weight of 166.22 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5,6-trimethylpyrimidin-2-yl)ethanol is sourced from PubChem (CID 105433107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).