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

C25H25F3N2O2 — CID 66550729

IUPAC3-methyl-6-(4-phenylcyclohexyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]c(C2CCC(c3ccccc3)CC2)c(Cc2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C25H25F3N2O2/c1-30-23(31)21(15-16-6-5-9-20(14-16)25(26,27)28)22(29-24(30)32)19-12-10-18(11-13-19)17-7-3-2-4-8-17/h2-9,14,18-19H,10-13,15H2,1H3,(H,29,32)
InChIKeyPFWVIVAJYRHYOY-UHFFFAOYSA-N
MW442.48 g/mol
LogP5.12
Rot. Bonds4

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

3-methyl-6-(4-phenylcyclohexyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione (PubChem CID 66550729) has the molecular formula C25H25F3N2O2 and a molecular weight of 442.48 g/mol. Its IUPAC name is 3-methyl-6-(4-phenylcyclohexyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-6-(4-phenylcyclohexyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione
PubChem CID66550729
Molecular FormulaC25H25F3N2O2
Molecular Weight442.48 g/mol
Exact Mass442.19
IUPAC Name3-methyl-6-(4-phenylcyclohexyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]c(C2CCC(c3ccccc3)CC2)c(Cc2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C25H25F3N2O2/c1-30-23(31)21(15-16-6-5-9-20(14-16)25(26,27)28)22(29-24(30)32)19-12-10-18(11-13-19)17-7-3-2-4-8-17/h2-9,14,18-19H,10-13,15H2,1H3,(H,29,32)
InChIKeyPFWVIVAJYRHYOY-UHFFFAOYSA-N
XLogP5.12
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.48
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

Miricorilant
CID 66550324
5-benzyl-6-(4-benzylpiperidin-1-yl)-3-methylpyrimidine-2,4(1H,3H)-dione
CID 4193542
5-benzyl-3-methyl-6-(4-phenylpiperidin-1-yl)pyrimidine-2,4(1H,3H)-dione
CID 44426753
5-benzyl-3-methyl-6-(4-phenethylpiperidin-1-yl)pyrimidine-2,4(1H,3H)-dione
CID 44426775
5-benzyl-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione
CID 60202645
5-[(2-ethylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione
CID 66549685
5-[(3-methylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione
CID 66549882
5-benzyl-3-methyl-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione
CID 66550096
3-methyl-5-[(3-methylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione
CID 66550726
3-[2-(dimethylamino)ethyl]-5-[(3-methylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione
CID 66550727
3-(2-hydroxyethyl)-6-(4-phenylcyclohexyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione
CID 71454032
3-((R)-2-Amino-2-phenyl-ethyl)-1-(2,6-difluoro-benzyl)-5-(2-fluoro-3-methyl-phenyl)-6-methyl-1H-pyrimidine-2,4-dione
CID 11375759

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(4-phenylcyclohexyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-methyl-6-(4-phenylcyclohexyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione (CID 66550729) is 3-methyl-6-(4-phenylcyclohexyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-methyl-6-(4-phenylcyclohexyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-methyl-6-(4-phenylcyclohexyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione is Cn1c(=O)[nH]c(C2CCC(c3ccccc3)CC2)c(Cc2cccc(C(F)(F)F)c2)c1=O.
What is the InChIKey of 3-methyl-6-(4-phenylcyclohexyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is PFWVIVAJYRHYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N2O2/c1-30-23(31)21(15-16-6-5-9-20(14-16)25(26,27)28)22(29-24(30)32)19-12-10-18(11-13-19)17-7-3-2-4-8-17/h2-9,14,18-19H,10-13,15H2,1H3,(H,29,32).
What are the key properties of 3-methyl-6-(4-phenylcyclohexyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione?
3-methyl-6-(4-phenylcyclohexyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 442.48 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(4-phenylcyclohexyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 66550729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).