1-cyclohexyl-2-(3-pyrimidin-2-ylfuran-2-yl)ethanone

C16H18N2O2 — CID 138970113

IUPAC1-cyclohexyl-2-(3-pyrimidin-2-ylfuran-2-yl)ethanone
SMILESO=C(Cc1occc1-c1ncccn1)C1CCCCC1
InChIInChI=1S/C16H18N2O2/c19-14(12-5-2-1-3-6-12)11-15-13(7-10-20-15)16-17-8-4-9-18-16/h4,7-10,12H,1-3,5-6,11H2
InChIKeyOLNBJQCIBCLRRX-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.43
Rot. Bonds4

About 1-cyclohexyl-2-(3-pyrimidin-2-ylfuran-2-yl)ethanone

1-cyclohexyl-2-(3-pyrimidin-2-ylfuran-2-yl)ethanone (PubChem CID 138970113) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-cyclohexyl-2-(3-pyrimidin-2-ylfuran-2-yl)ethanone.

Molecular Properties

Compound Name1-cyclohexyl-2-(3-pyrimidin-2-ylfuran-2-yl)ethanone
PubChem CID138970113
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name1-cyclohexyl-2-(3-pyrimidin-2-ylfuran-2-yl)ethanone
SMILESO=C(Cc1occc1-c1ncccn1)C1CCCCC1
InChIInChI=1S/C16H18N2O2/c19-14(12-5-2-1-3-6-12)11-15-13(7-10-20-15)16-17-8-4-9-18-16/h4,7-10,12H,1-3,5-6,11H2
InChIKeyOLNBJQCIBCLRRX-UHFFFAOYSA-N
XLogP3.43
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(3-pyrimidin-2-ylfuran-2-yl)ethanone?
The IUPAC name of 1-cyclohexyl-2-(3-pyrimidin-2-ylfuran-2-yl)ethanone (CID 138970113) is 1-cyclohexyl-2-(3-pyrimidin-2-ylfuran-2-yl)ethanone.
What is the SMILES notation for 1-cyclohexyl-2-(3-pyrimidin-2-ylfuran-2-yl)ethanone?
The canonical SMILES for 1-cyclohexyl-2-(3-pyrimidin-2-ylfuran-2-yl)ethanone is O=C(Cc1occc1-c1ncccn1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(3-pyrimidin-2-ylfuran-2-yl)ethanone?
The InChIKey is OLNBJQCIBCLRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c19-14(12-5-2-1-3-6-12)11-15-13(7-10-20-15)16-17-8-4-9-18-16/h4,7-10,12H,1-3,5-6,11H2.
What are the key properties of 1-cyclohexyl-2-(3-pyrimidin-2-ylfuran-2-yl)ethanone?
1-cyclohexyl-2-(3-pyrimidin-2-ylfuran-2-yl)ethanone has a molecular weight of 270.33 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(3-pyrimidin-2-ylfuran-2-yl)ethanone is sourced from PubChem (CID 138970113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).