3-(2-hydroxyethyl)-6-(4-phenylcyclohexyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione

C26H27F3N2O3 — CID 71454032

IUPAC3-(2-hydroxyethyl)-6-(4-phenylcyclohexyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(C2CCC(c3ccccc3)CC2)c(Cc2cccc(C(F)(F)F)c2)c(=O)n1CCO
InChIInChI=1S/C26H27F3N2O3/c27-26(28,29)21-8-4-5-17(15-21)16-22-23(30-25(34)31(13-14-32)24(22)33)20-11-9-19(10-12-20)18-6-2-1-3-7-18/h1-8,15,19-20,32H,9-14,16H2,(H,30,34)
InChIKeyUPMSVRVKFZUGNY-UHFFFAOYSA-N
MW472.51 g/mol
LogP4.58
Rot. Bonds6

About 3-(2-hydroxyethyl)-6-(4-phenylcyclohexyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione

3-(2-hydroxyethyl)-6-(4-phenylcyclohexyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione (PubChem CID 71454032) has the molecular formula C26H27F3N2O3 and a molecular weight of 472.51 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-6-(4-phenylcyclohexyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-6-(4-phenylcyclohexyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione
PubChem CID71454032
Molecular FormulaC26H27F3N2O3
Molecular Weight472.51 g/mol
Exact Mass472.20
IUPAC Name3-(2-hydroxyethyl)-6-(4-phenylcyclohexyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(C2CCC(c3ccccc3)CC2)c(Cc2cccc(C(F)(F)F)c2)c(=O)n1CCO
InChIInChI=1S/C26H27F3N2O3/c27-26(28,29)21-8-4-5-17(15-21)16-22-23(30-25(34)31(13-14-32)24(22)33)20-11-9-19(10-12-20)18-6-2-1-3-7-18/h1-8,15,19-20,32H,9-14,16H2,(H,30,34)
InChIKeyUPMSVRVKFZUGNY-UHFFFAOYSA-N
XLogP4.58
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.51
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-6-(4-phenylcyclohexyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-(2-hydroxyethyl)-6-(4-phenylcyclohexyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione (CID 71454032) is 3-(2-hydroxyethyl)-6-(4-phenylcyclohexyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-(2-hydroxyethyl)-6-(4-phenylcyclohexyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-(2-hydroxyethyl)-6-(4-phenylcyclohexyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione is O=c1[nH]c(C2CCC(c3ccccc3)CC2)c(Cc2cccc(C(F)(F)F)c2)c(=O)n1CCO.
What is the InChIKey of 3-(2-hydroxyethyl)-6-(4-phenylcyclohexyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is UPMSVRVKFZUGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N2O3/c27-26(28,29)21-8-4-5-17(15-21)16-22-23(30-25(34)31(13-14-32)24(22)33)20-11-9-19(10-12-20)18-6-2-1-3-7-18/h1-8,15,19-20,32H,9-14,16H2,(H,30,34).
What are the key properties of 3-(2-hydroxyethyl)-6-(4-phenylcyclohexyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione?
3-(2-hydroxyethyl)-6-(4-phenylcyclohexyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 472.51 g/mol, XLogP of 4.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-6-(4-phenylcyclohexyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 71454032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).