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

C25H28N2O2 — CID 66549685

IUPAC5-[(2-ethylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione
SMILESCCc1ccccc1Cc1c(C2CCC(c3ccccc3)CC2)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C25H28N2O2/c1-2-17-8-6-7-11-21(17)16-22-23(26-25(29)27-24(22)28)20-14-12-19(13-15-20)18-9-4-3-5-10-18/h3-11,19-20H,2,12-16H2,1H3,(H2,26,27,28,29)
InChIKeyXGZGZXCJJBENKK-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.66
Rot. Bonds5

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

5-[(2-ethylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione (PubChem CID 66549685) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 5-[(2-ethylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(2-ethylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione
PubChem CID66549685
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC Name5-[(2-ethylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione
SMILESCCc1ccccc1Cc1c(C2CCC(c3ccccc3)CC2)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C25H28N2O2/c1-2-17-8-6-7-11-21(17)16-22-23(26-25(29)27-24(22)28)20-14-12-19(13-15-20)18-9-4-3-5-10-18/h3-11,19-20H,2,12-16H2,1H3,(H2,26,27,28,29)
InChIKeyXGZGZXCJJBENKK-UHFFFAOYSA-N
XLogP4.66
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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-6-(4-phenylpiperidin-1-yl)pyrimidine-2,4(1H,3H)-dione
CID 11530605
5-benzyl-3-methyl-6-(4-phenylpiperidin-1-yl)pyrimidine-2,4(1H,3H)-dione
CID 44426753
5-benzyl-6-(4-benzylpiperidin-1-yl)pyrimidine-2,4(1H,3H)-dione
CID 44426766
5-benzyl-3-methyl-6-(4-phenethylpiperidin-1-yl)pyrimidine-2,4(1H,3H)-dione
CID 44426775
5-benzyl-6-(3-phenylpiperidin-1-yl)pyrimidine-2,4(1H,3H)-dione
CID 44426796
5-benzyl-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione
CID 60202645
5-[(2-chlorophenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione
CID 66549686
5-[(2,6-dichlorophenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione
CID 66549879
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

Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(2-ethylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione (CID 66549685) is 5-[(2-ethylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(2-ethylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(2-ethylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione is CCc1ccccc1Cc1c(C2CCC(c3ccccc3)CC2)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-[(2-ethylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione?
The InChIKey is XGZGZXCJJBENKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-2-17-8-6-7-11-21(17)16-22-23(26-25(29)27-24(22)28)20-14-12-19(13-15-20)18-9-4-3-5-10-18/h3-11,19-20H,2,12-16H2,1H3,(H2,26,27,28,29).
What are the key properties of 5-[(2-ethylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione?
5-[(2-ethylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione has a molecular weight of 388.51 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 66549685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).