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

C24H26N2O2 — CID 66549882

IUPAC5-[(3-methylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione
SMILESCc1cccc(Cc2c(C3CCC(c4ccccc4)CC3)[nH]c(=O)[nH]c2=O)c1
InChIInChI=1S/C24H26N2O2/c1-16-6-5-7-17(14-16)15-21-22(25-24(28)26-23(21)27)20-12-10-19(11-13-20)18-8-3-2-4-9-18/h2-9,14,19-20H,10-13,15H2,1H3,(H2,25,26,27,28)
InChIKeyZSYRLTIXIDZION-UHFFFAOYSA-N
MW374.48 g/mol
LogP4.40
Rot. Bonds4

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

5-[(3-methylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione (PubChem CID 66549882) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 5-[(3-methylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(3-methylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione
PubChem CID66549882
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name5-[(3-methylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione
SMILESCc1cccc(Cc2c(C3CCC(c4ccccc4)CC3)[nH]c(=O)[nH]c2=O)c1
InChIInChI=1S/C24H26N2O2/c1-16-6-5-7-17(14-16)15-21-22(25-24(28)26-23(21)27)20-12-10-19(11-13-20)18-8-3-2-4-9-18/h2-9,14,19-20H,10-13,15H2,1H3,(H2,25,26,27,28)
InChIKeyZSYRLTIXIDZION-UHFFFAOYSA-N
XLogP4.40
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.40
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-ethylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione
CID 66549685
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-benzyl-3-methyl-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione
CID 66550096

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(3-methylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione (CID 66549882) is 5-[(3-methylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(3-methylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(3-methylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione is Cc1cccc(Cc2c(C3CCC(c4ccccc4)CC3)[nH]c(=O)[nH]c2=O)c1.
What is the InChIKey of 5-[(3-methylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione?
The InChIKey is ZSYRLTIXIDZION-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-16-6-5-7-17(14-16)15-21-22(25-24(28)26-23(21)27)20-12-10-19(11-13-20)18-8-3-2-4-9-18/h2-9,14,19-20H,10-13,15H2,1H3,(H2,25,26,27,28).
What are the key properties of 5-[(3-methylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione?
5-[(3-methylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione has a molecular weight of 374.48 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 66549882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).