1-(2,4-dimethylpyrimidin-5-yl)ethanol

C8H12N2O — CID 54772446

IUPAC1-(2,4-dimethylpyrimidin-5-yl)ethanol
SMILESCc1ncc(C(C)O)c(C)n1
InChIInChI=1S/C8H12N2O/c1-5-8(6(2)11)4-9-7(3)10-5/h4,6,11H,1-3H3
InChIKeyMUAMCVCEPUYULF-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.15
Rot. Bonds1

About 1-(2,4-dimethylpyrimidin-5-yl)ethanol

1-(2,4-dimethylpyrimidin-5-yl)ethanol (PubChem CID 54772446) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 1-(2,4-dimethylpyrimidin-5-yl)ethanol.

Molecular Properties

Compound Name1-(2,4-dimethylpyrimidin-5-yl)ethanol
PubChem CID54772446
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name1-(2,4-dimethylpyrimidin-5-yl)ethanol
SMILESCc1ncc(C(C)O)c(C)n1
InChIInChI=1S/C8H12N2O/c1-5-8(6(2)11)4-9-7(3)10-5/h4,6,11H,1-3H3
InChIKeyMUAMCVCEPUYULF-UHFFFAOYSA-N
XLogP1.15
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylpyrimidin-5-yl)ethanol?
The IUPAC name of 1-(2,4-dimethylpyrimidin-5-yl)ethanol (CID 54772446) is 1-(2,4-dimethylpyrimidin-5-yl)ethanol.
What is the SMILES notation for 1-(2,4-dimethylpyrimidin-5-yl)ethanol?
The canonical SMILES for 1-(2,4-dimethylpyrimidin-5-yl)ethanol is Cc1ncc(C(C)O)c(C)n1.
What is the InChIKey of 1-(2,4-dimethylpyrimidin-5-yl)ethanol?
The InChIKey is MUAMCVCEPUYULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-5-8(6(2)11)4-9-7(3)10-5/h4,6,11H,1-3H3.
What are the key properties of 1-(2,4-dimethylpyrimidin-5-yl)ethanol?
1-(2,4-dimethylpyrimidin-5-yl)ethanol has a molecular weight of 152.20 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylpyrimidin-5-yl)ethanol is sourced from PubChem (CID 54772446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).