2-cyclohexyl-1-pyrimidin-5-ylethanone

C12H16N2O — CID 114965913

IUPAC2-cyclohexyl-1-pyrimidin-5-ylethanone
SMILESO=C(CC1CCCCC1)c1cncnc1
InChIInChI=1S/C12H16N2O/c15-12(11-7-13-9-14-8-11)6-10-4-2-1-3-5-10/h7-10H,1-6H2
InChIKeySUOPKZAAQGKSJT-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.63
Rot. Bonds3

About 2-cyclohexyl-1-pyrimidin-5-ylethanone

2-cyclohexyl-1-pyrimidin-5-ylethanone (PubChem CID 114965913) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-cyclohexyl-1-pyrimidin-5-ylethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-pyrimidin-5-ylethanone
PubChem CID114965913
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-cyclohexyl-1-pyrimidin-5-ylethanone
SMILESO=C(CC1CCCCC1)c1cncnc1
InChIInChI=1S/C12H16N2O/c15-12(11-7-13-9-14-8-11)6-10-4-2-1-3-5-10/h7-10H,1-6H2
InChIKeySUOPKZAAQGKSJT-UHFFFAOYSA-N
XLogP2.63
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cycloheptyl-1-pyridin-3-ylethanone
CID 114963158
1-[3,5-bis(2-cyclohexylacetyl)phenyl]-2-cyclohexylethanone
CID 160549823
2-cycloheptyl-1-(5-methoxy-3-pyridinyl)ethanone
CID 115793367
3-cyclopropyl-1-pyrimidin-5-ylpropan-1-one
CID 102923156
2-cyclopentyl-1-pyrazin-2-ylethanone
CID 62622099
2-cyclopentyl-1-(4-methylpyrimidin-5-yl)ethanone
CID 130871155
2-cyclohexyl-1-(4-fluorophenyl)ethanone
CID 12505091
2-cyclopentyl-1-phenylethanone;hydrochloride
CID 174593040
2-cyclohexyl-1-(3,4,5-trifluorophenyl)ethanone
CID 62620273
1-(4-tert-butylphenyl)-2-cyclohexylethanone
CID 43337749
2-cycloheptyl-1-(furan-3-yl)ethanone
CID 114971700
2-cyclohexyl-1-(1-phenylpyrazol-4-yl)ethanone
CID 43340159

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-pyrimidin-5-ylethanone?
The IUPAC name of 2-cyclohexyl-1-pyrimidin-5-ylethanone (CID 114965913) is 2-cyclohexyl-1-pyrimidin-5-ylethanone.
What is the SMILES notation for 2-cyclohexyl-1-pyrimidin-5-ylethanone?
The canonical SMILES for 2-cyclohexyl-1-pyrimidin-5-ylethanone is O=C(CC1CCCCC1)c1cncnc1.
What is the InChIKey of 2-cyclohexyl-1-pyrimidin-5-ylethanone?
The InChIKey is SUOPKZAAQGKSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c15-12(11-7-13-9-14-8-11)6-10-4-2-1-3-5-10/h7-10H,1-6H2.
What are the key properties of 2-cyclohexyl-1-pyrimidin-5-ylethanone?
2-cyclohexyl-1-pyrimidin-5-ylethanone has a molecular weight of 204.27 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-pyrimidin-5-ylethanone is sourced from PubChem (CID 114965913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).