2-(2-cyclohexyl-4,6-dimethylpyrimidin-5-yl)ethanol

C14H22N2O — CID 115069783

IUPAC2-(2-cyclohexyl-4,6-dimethylpyrimidin-5-yl)ethanol
SMILESCc1nc(C2CCCCC2)nc(C)c1CCO
InChIInChI=1S/C14H22N2O/c1-10-13(8-9-17)11(2)16-14(15-10)12-6-4-3-5-7-12/h12,17H,3-9H2,1-2H3
InChIKeySAEHRTOLFVSVIC-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.68
Rot. Bonds3

About 2-(2-cyclohexyl-4,6-dimethylpyrimidin-5-yl)ethanol

2-(2-cyclohexyl-4,6-dimethylpyrimidin-5-yl)ethanol (PubChem CID 115069783) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(2-cyclohexyl-4,6-dimethylpyrimidin-5-yl)ethanol.

Molecular Properties

Compound Name2-(2-cyclohexyl-4,6-dimethylpyrimidin-5-yl)ethanol
PubChem CID115069783
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-(2-cyclohexyl-4,6-dimethylpyrimidin-5-yl)ethanol
SMILESCc1nc(C2CCCCC2)nc(C)c1CCO
InChIInChI=1S/C14H22N2O/c1-10-13(8-9-17)11(2)16-14(15-10)12-6-4-3-5-7-12/h12,17H,3-9H2,1-2H3
InChIKeySAEHRTOLFVSVIC-UHFFFAOYSA-N
XLogP2.68
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexyl-4,6-dimethylpyrimidin-5-yl)ethanol?
The IUPAC name of 2-(2-cyclohexyl-4,6-dimethylpyrimidin-5-yl)ethanol (CID 115069783) is 2-(2-cyclohexyl-4,6-dimethylpyrimidin-5-yl)ethanol.
What is the SMILES notation for 2-(2-cyclohexyl-4,6-dimethylpyrimidin-5-yl)ethanol?
The canonical SMILES for 2-(2-cyclohexyl-4,6-dimethylpyrimidin-5-yl)ethanol is Cc1nc(C2CCCCC2)nc(C)c1CCO.
What is the InChIKey of 2-(2-cyclohexyl-4,6-dimethylpyrimidin-5-yl)ethanol?
The InChIKey is SAEHRTOLFVSVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10-13(8-9-17)11(2)16-14(15-10)12-6-4-3-5-7-12/h12,17H,3-9H2,1-2H3.
What are the key properties of 2-(2-cyclohexyl-4,6-dimethylpyrimidin-5-yl)ethanol?
2-(2-cyclohexyl-4,6-dimethylpyrimidin-5-yl)ethanol has a molecular weight of 234.34 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexyl-4,6-dimethylpyrimidin-5-yl)ethanol is sourced from PubChem (CID 115069783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).