2-cyclohexyl-1-(2-methylpyrimidin-4-yl)ethanone

C13H18N2O — CID 115529765

IUPAC2-cyclohexyl-1-(2-methylpyrimidin-4-yl)ethanone
SMILESCc1nccc(C(=O)CC2CCCCC2)n1
InChIInChI=1S/C13H18N2O/c1-10-14-8-7-12(15-10)13(16)9-11-5-3-2-4-6-11/h7-8,11H,2-6,9H2,1H3
InChIKeyJFSPLGOMZLGIJS-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.94
Rot. Bonds3

About 2-cyclohexyl-1-(2-methylpyrimidin-4-yl)ethanone

2-cyclohexyl-1-(2-methylpyrimidin-4-yl)ethanone (PubChem CID 115529765) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-cyclohexyl-1-(2-methylpyrimidin-4-yl)ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-(2-methylpyrimidin-4-yl)ethanone
PubChem CID115529765
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-cyclohexyl-1-(2-methylpyrimidin-4-yl)ethanone
SMILESCc1nccc(C(=O)CC2CCCCC2)n1
InChIInChI=1S/C13H18N2O/c1-10-14-8-7-12(15-10)13(16)9-11-5-3-2-4-6-11/h7-8,11H,2-6,9H2,1H3
InChIKeyJFSPLGOMZLGIJS-UHFFFAOYSA-N
XLogP2.94
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(2-methylpyrimidin-4-yl)ethanone?
The IUPAC name of 2-cyclohexyl-1-(2-methylpyrimidin-4-yl)ethanone (CID 115529765) is 2-cyclohexyl-1-(2-methylpyrimidin-4-yl)ethanone.
What is the SMILES notation for 2-cyclohexyl-1-(2-methylpyrimidin-4-yl)ethanone?
The canonical SMILES for 2-cyclohexyl-1-(2-methylpyrimidin-4-yl)ethanone is Cc1nccc(C(=O)CC2CCCCC2)n1.
What is the InChIKey of 2-cyclohexyl-1-(2-methylpyrimidin-4-yl)ethanone?
The InChIKey is JFSPLGOMZLGIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-10-14-8-7-12(15-10)13(16)9-11-5-3-2-4-6-11/h7-8,11H,2-6,9H2,1H3.
What are the key properties of 2-cyclohexyl-1-(2-methylpyrimidin-4-yl)ethanone?
2-cyclohexyl-1-(2-methylpyrimidin-4-yl)ethanone has a molecular weight of 218.30 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(2-methylpyrimidin-4-yl)ethanone is sourced from PubChem (CID 115529765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).