2-cyclobutyl-1-(2-methylpyrimidin-4-yl)ethanol

C11H16N2O — CID 115529993

IUPAC2-cyclobutyl-1-(2-methylpyrimidin-4-yl)ethanol
SMILESCc1nccc(C(O)CC2CCC2)n1
InChIInChI=1S/C11H16N2O/c1-8-12-6-5-10(13-8)11(14)7-9-3-2-4-9/h5-6,9,11,14H,2-4,7H2,1H3
InChIKeyCFZJYXZHOKHNQJ-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.01
Rot. Bonds3

About 2-cyclobutyl-1-(2-methylpyrimidin-4-yl)ethanol

2-cyclobutyl-1-(2-methylpyrimidin-4-yl)ethanol (PubChem CID 115529993) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-cyclobutyl-1-(2-methylpyrimidin-4-yl)ethanol.

Molecular Properties

Compound Name2-cyclobutyl-1-(2-methylpyrimidin-4-yl)ethanol
PubChem CID115529993
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-cyclobutyl-1-(2-methylpyrimidin-4-yl)ethanol
SMILESCc1nccc(C(O)CC2CCC2)n1
InChIInChI=1S/C11H16N2O/c1-8-12-6-5-10(13-8)11(14)7-9-3-2-4-9/h5-6,9,11,14H,2-4,7H2,1H3
InChIKeyCFZJYXZHOKHNQJ-UHFFFAOYSA-N
XLogP2.01
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-3-(2-methylpyrimidin-4-yl)propanal
CID 114795373
[(3-ethylcyclohexyl)-(2-methylpyrimidin-4-yl)methyl]hydrazine
CID 105260496
4-amino-1-(2-methylpyrimidin-4-yl)butan-1-ol
CID 82408295
1-(2-methylpyrimidin-4-yl)octan-1-ol
CID 115527924
1-(2-methylpyrimidin-4-yl)tridecan-1-ol
CID 115528032
2-cyclobutyl-1-(4-methyl-3-pyridinyl)ethanol
CID 114877786
2-cyclobutyl-1-(2,6-dimethyl-3-pyridinyl)ethanol
CID 105100889
1-(2-methylpyrimidin-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 115528070
(3-cyclobutylphenyl)-(2-methylpyrimidin-4-yl)methanol
CID 114601558
1-(2-methylpyrimidin-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 115527999
2-(furan-2-yl)-1-(2-methylpyrimidin-4-yl)ethanol
CID 83171939
4-methoxy-4-methyl-1-(2-methylpyrimidin-4-yl)pentan-1-ol
CID 103035234

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-(2-methylpyrimidin-4-yl)ethanol?
The IUPAC name of 2-cyclobutyl-1-(2-methylpyrimidin-4-yl)ethanol (CID 115529993) is 2-cyclobutyl-1-(2-methylpyrimidin-4-yl)ethanol.
What is the SMILES notation for 2-cyclobutyl-1-(2-methylpyrimidin-4-yl)ethanol?
The canonical SMILES for 2-cyclobutyl-1-(2-methylpyrimidin-4-yl)ethanol is Cc1nccc(C(O)CC2CCC2)n1.
What is the InChIKey of 2-cyclobutyl-1-(2-methylpyrimidin-4-yl)ethanol?
The InChIKey is CFZJYXZHOKHNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-8-12-6-5-10(13-8)11(14)7-9-3-2-4-9/h5-6,9,11,14H,2-4,7H2,1H3.
What are the key properties of 2-cyclobutyl-1-(2-methylpyrimidin-4-yl)ethanol?
2-cyclobutyl-1-(2-methylpyrimidin-4-yl)ethanol has a molecular weight of 192.26 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-(2-methylpyrimidin-4-yl)ethanol is sourced from PubChem (CID 115529993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).