2-cyclobutyl-1-(4-methylpyrimidin-5-yl)ethanol

C11H16N2O — CID 131000904

IUPAC2-cyclobutyl-1-(4-methylpyrimidin-5-yl)ethanol
SMILESCc1ncncc1C(O)CC1CCC1
InChIInChI=1S/C11H16N2O/c1-8-10(6-12-7-13-8)11(14)5-9-3-2-4-9/h6-7,9,11,14H,2-5H2,1H3
InChIKeyPGYVCQHSNAFAAH-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.01
Rot. Bonds3

About 2-cyclobutyl-1-(4-methylpyrimidin-5-yl)ethanol

2-cyclobutyl-1-(4-methylpyrimidin-5-yl)ethanol (PubChem CID 131000904) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-cyclobutyl-1-(4-methylpyrimidin-5-yl)ethanol.

Molecular Properties

Compound Name2-cyclobutyl-1-(4-methylpyrimidin-5-yl)ethanol
PubChem CID131000904
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-cyclobutyl-1-(4-methylpyrimidin-5-yl)ethanol
SMILESCc1ncncc1C(O)CC1CCC1
InChIInChI=1S/C11H16N2O/c1-8-10(6-12-7-13-8)11(14)5-9-3-2-4-9/h6-7,9,11,14H,2-5H2,1H3
InChIKeyPGYVCQHSNAFAAH-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

2-cyclobutyl-1-(4-methyl-3-pyridinyl)ethanol
CID 114877786
2-cyclobutyl-1-(2,6-dimethyl-3-pyridinyl)ethanol
CID 105100889
2-cyclobutyl-1-(1,5-dimethylpyrazol-4-yl)ethanol
CID 105100749
2-cyclobutyl-1-(1,3-dimethylpyrazol-4-yl)ethanol
CID 102804709
2-cyclopentyl-1-(4-methyl-1,3-thiazol-5-yl)ethanol
CID 105090377
2-cyclobutyl-1-(5-ethoxy-3-pyridinyl)ethanol
CID 103170200
2-cyclobutyl-1-(2-methoxy-3-pyridinyl)ethanol
CID 105100853
2-cyclobutyl-1-(2-methylpyrimidin-4-yl)ethanol
CID 115529993
1-(5-chloro-2-methylphenyl)-2-cyclobutylethanol
CID 115802584
2-cyclobutyl-1-(4,5-dimethoxy-2-methylphenyl)ethanol
CID 103165429
2-cyclopentyl-1-(4-methylpyrimidin-5-yl)ethanone
CID 130871155
5-butan-2-yl-4-methylpyrimidine
CID 138494924

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-(4-methylpyrimidin-5-yl)ethanol?
The IUPAC name of 2-cyclobutyl-1-(4-methylpyrimidin-5-yl)ethanol (CID 131000904) is 2-cyclobutyl-1-(4-methylpyrimidin-5-yl)ethanol.
What is the SMILES notation for 2-cyclobutyl-1-(4-methylpyrimidin-5-yl)ethanol?
The canonical SMILES for 2-cyclobutyl-1-(4-methylpyrimidin-5-yl)ethanol is Cc1ncncc1C(O)CC1CCC1.
What is the InChIKey of 2-cyclobutyl-1-(4-methylpyrimidin-5-yl)ethanol?
The InChIKey is PGYVCQHSNAFAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-8-10(6-12-7-13-8)11(14)5-9-3-2-4-9/h6-7,9,11,14H,2-5H2,1H3.
What are the key properties of 2-cyclobutyl-1-(4-methylpyrimidin-5-yl)ethanol?
2-cyclobutyl-1-(4-methylpyrimidin-5-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-(4-methylpyrimidin-5-yl)ethanol is sourced from PubChem (CID 131000904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).