3-cyclohexyl-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione

C18H22N2O3 — CID 91386998

IUPAC3-cyclohexyl-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione
SMILESO=c1cc(O)n(CCc2ccccc2)c(=O)n1C1CCCCC1
InChIInChI=1S/C18H22N2O3/c21-16-13-17(22)20(15-9-5-2-6-10-15)18(23)19(16)12-11-14-7-3-1-4-8-14/h1,3-4,7-8,13,15,21H,2,5-6,9-12H2
InChIKeyOPHUQTJKZQGJQD-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.46
Rot. Bonds4

About 3-cyclohexyl-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione

3-cyclohexyl-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione (PubChem CID 91386998) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is 3-cyclohexyl-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-cyclohexyl-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione
PubChem CID91386998
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name3-cyclohexyl-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione
SMILESO=c1cc(O)n(CCc2ccccc2)c(=O)n1C1CCCCC1
InChIInChI=1S/C18H22N2O3/c21-16-13-17(22)20(15-9-5-2-6-10-15)18(23)19(16)12-11-14-7-3-1-4-8-14/h1,3-4,7-8,13,15,21H,2,5-6,9-12H2
InChIKeyOPHUQTJKZQGJQD-UHFFFAOYSA-N
XLogP2.46
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopentyl-6-hydroxy-1-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine-2,4-dione
CID 123924584
1-benzyl-3-cyclohexyl-4-hydroxy-5-(2-phenylethyl)imidazol-2-one
CID 90883448
3-cyclohexyl-6-hydroxy-1-(3-morpholin-4-ylpropyl)pyrimidine-2,4-dione
CID 91574985
1-[2-(4-tert-butylphenyl)ethyl]-6-hydroxy-3-(2-phenylethyl)pyrimidine-2,4-dione
CID 91209277
1-cyclohexyl-4-hydroxyquinolin-2-one
CID 54723672
1-(2-phenylethyl)-3-piperidin-4-ylbenzimidazol-2-one
CID 154396127
[(1S,2S)-2-[3-[2-(3-chlorophenyl)ethyl]-4-hydroxy-2,6-dioxopyrimidin-1-yl]cyclopentyl] 2-methylpropanoate
CID 91899817
1,3-dicyclohexyl-6-hydroxy-2-sulfanylidenepyrimidin-4-one
CID 54224963
9-cyclononylcarbazole
CID 139570160
1-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-3-(2-phenylethyl)quinazoline-2,4-dione
CID 7450521
6-cyclopropyl-3-(2-phenylethyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione
CID 59351729
2-(2-phenylethyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 17359933

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione?
The IUPAC name of 3-cyclohexyl-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione (CID 91386998) is 3-cyclohexyl-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 3-cyclohexyl-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione?
The canonical SMILES for 3-cyclohexyl-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione is O=c1cc(O)n(CCc2ccccc2)c(=O)n1C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione?
The InChIKey is OPHUQTJKZQGJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c21-16-13-17(22)20(15-9-5-2-6-10-15)18(23)19(16)12-11-14-7-3-1-4-8-14/h1,3-4,7-8,13,15,21H,2,5-6,9-12H2.
What are the key properties of 3-cyclohexyl-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione?
3-cyclohexyl-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione has a molecular weight of 314.38 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 91386998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).