2-[4-(1-benzofuran-3-yl)-6-methylpyrimidin-2-yl]ethanol

C15H14N2O2 — CID 116893955

IUPAC2-[4-(1-benzofuran-3-yl)-6-methylpyrimidin-2-yl]ethanol
SMILESCc1cc(-c2coc3ccccc23)nc(CCO)n1
InChIInChI=1S/C15H14N2O2/c1-10-8-13(17-15(16-10)6-7-18)12-9-19-14-5-3-2-4-11(12)14/h2-5,8-9,18H,6-7H2,1H3
InChIKeyJQHKZTZZGJMSRX-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.73
Rot. Bonds3

About 2-[4-(1-benzofuran-3-yl)-6-methylpyrimidin-2-yl]ethanol

2-[4-(1-benzofuran-3-yl)-6-methylpyrimidin-2-yl]ethanol (PubChem CID 116893955) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[4-(1-benzofuran-3-yl)-6-methylpyrimidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-(1-benzofuran-3-yl)-6-methylpyrimidin-2-yl]ethanol
PubChem CID116893955
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name2-[4-(1-benzofuran-3-yl)-6-methylpyrimidin-2-yl]ethanol
SMILESCc1cc(-c2coc3ccccc23)nc(CCO)n1
InChIInChI=1S/C15H14N2O2/c1-10-8-13(17-15(16-10)6-7-18)12-9-19-14-5-3-2-4-11(12)14/h2-5,8-9,18H,6-7H2,1H3
InChIKeyJQHKZTZZGJMSRX-UHFFFAOYSA-N
XLogP2.73
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1-benzofuran-3-yl)-6-methylpyrimidin-2-yl]acetic acid
CID 116894098
4-(1-benzofuran-3-yl)-6-methyl-1H-pyrimidine-2-thione
CID 116894725
2-[4-(1-benzofuran-3-yl)pyrimidin-2-yl]ethanamine
CID 116897728
4-(1-benzofuran-3-yl)-2-(2-chloroethyl)pyrimidine
CID 116899372
3-(4-methylphenyl)-1-benzofuran
CID 11160085
5-(1-benzofuran-3-yl)-1,3-dimethylpyrazole
CID 116856819
1-[5-(1-benzofuran-3-yl)-3-methylpyrazin-2-yl]oxy-2-methylpropan-2-ol
CID 167350782
4-(1-benzofuran-3-yl)-2-(chloromethyl)-1,3-thiazole
CID 116867872
ethane;3-[4-(4-methoxy-3,5-dimethylphenyl)phenyl]-1-benzofuran
CID 91354364
3-(3,4-dimethylphenyl)-1-benzofuran
CID 21330918
2-(4-methyl-6-propan-2-ylpyrimidin-2-yl)ethanol
CID 116893893
2-[4-(1-benzofuran-3-yl)-1,3-thiazol-2-yl]-2-methylpropanenitrile
CID 116865218

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-benzofuran-3-yl)-6-methylpyrimidin-2-yl]ethanol?
The IUPAC name of 2-[4-(1-benzofuran-3-yl)-6-methylpyrimidin-2-yl]ethanol (CID 116893955) is 2-[4-(1-benzofuran-3-yl)-6-methylpyrimidin-2-yl]ethanol.
What is the SMILES notation for 2-[4-(1-benzofuran-3-yl)-6-methylpyrimidin-2-yl]ethanol?
The canonical SMILES for 2-[4-(1-benzofuran-3-yl)-6-methylpyrimidin-2-yl]ethanol is Cc1cc(-c2coc3ccccc23)nc(CCO)n1.
What is the InChIKey of 2-[4-(1-benzofuran-3-yl)-6-methylpyrimidin-2-yl]ethanol?
The InChIKey is JQHKZTZZGJMSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-10-8-13(17-15(16-10)6-7-18)12-9-19-14-5-3-2-4-11(12)14/h2-5,8-9,18H,6-7H2,1H3.
What are the key properties of 2-[4-(1-benzofuran-3-yl)-6-methylpyrimidin-2-yl]ethanol?
2-[4-(1-benzofuran-3-yl)-6-methylpyrimidin-2-yl]ethanol has a molecular weight of 254.29 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-benzofuran-3-yl)-6-methylpyrimidin-2-yl]ethanol is sourced from PubChem (CID 116893955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).