5-benzyl-3-methyl-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;5-[(3-chloro-2-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;5-[(2-methyl-4-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;6-(4-phenylcyclohexyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyrimidine-2,4-dione

C92H95ClF3N11O8 — CID 157188790

About 5-benzyl-3-methyl-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;5-[(3-chloro-2-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;5-[(2-methyl-4-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;6-(4-phenylcyclohexyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyrimidine-2,4-dione

5-benzyl-3-methyl-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;5-[(3-chloro-2-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;5-[(2-methyl-4-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;6-(4-phenylcyclohexyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyrimidine-2,4-dione (PubChem CID 157188790) has the molecular formula C92H95ClF3N11O8 and a molecular weight of 1575.29 g/mol. Its IUPAC name is 5-benzyl-3-methyl-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;5-[(3-chloro-2-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;5-[(2-methyl-4-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;6-(4-phenylcyclohexyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 5-benzyl-3-methyl-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;5-[(3-chloro-2-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;5-[(2-methyl-4-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;6-(4-phenylcyclohexyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyrimidine-2,4-dione
• PubChem CID: 157188790
• Molecular Formula: C92H95ClF3N11O8
• Molecular Weight: 1575.29 g/mol
• Exact Mass: 1573.70
• IUPAC Name: 5-benzyl-3-methyl-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;5-[(3-chloro-2-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;5-[(2-methyl-4-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;6-(4-phenylcyclohexyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyrimidine-2,4-dione
• SMILES: Cc1cc(Cc2c(C3CCC(c4ccccc4)CC3)[nH]c(=O)[nH]c2=O)ccn1.Cn1c(=O)[nH]c(C2CCC(c3ccccc3)CC2)c(Cc2ccccc2)c1=O.O=c1[nH]c(C2CCC(c3ccccc3)CC2)c(Cc2cccc(C(F)(F)F)n2)c(=O)[nH]1.O=c1[nH]c(C2CCC(c3ccccc3)CC2)c(Cc2ncccc2Cl)c(=O)[nH]1
• InChI: InChI=1S/C24H26N2O2.C23H22F3N3O2.C23H25N3O2.C22H22ClN3O2/c1-26-23(27)21(16-17-8-4-2-5-9-17)22(25-24(26)28)20-14-12-19(13-15-20)18-10-6-3-7-11-18;24-23(25,26)19-8-4-7-17(27-19)13-18-20(28-22(31)29-21(18)30)16-11-9-15(10-12-16)14-5-2-1-3-6-14;1-15-13-16(11-12-24-15)14-20-21(25-23(28)26-22(20)27)19-9-7-18(8-10-19)17-5-3-2-4-6-17;23-18-7-4-12-24-19(18)13-17-20(25-22(28)26-21(17)27)16-10-8-15(9-11-16)14-5-2-1-3-6-14/h2-11,19-20H,12-16H2,1H3,(H,25,28);1-8,15-16H,9-13H2,(H2,28,29,30,31);2-6,11-13,18-19H,7-10,14H2,1H3,(H2,25,26,27,28);1-7,12,15-16H,8-11,13H2,(H2,25,26,27,28)
• InChIKey: APLHBQGFQGNUNI-UHFFFAOYSA-N
• XLogP: 16.56
• TPSA: 290.69 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 12
• Rotatable Bonds: 16
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1575.29
LogP ≤ 5	16.56
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-methyl-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;5-[(3-chloro-2-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;5-[(2-methyl-4-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;6-(4-phenylcyclohexyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyrimidine-2,4-dione?

The IUPAC name of 5-benzyl-3-methyl-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;5-[(3-chloro-2-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;5-[(2-methyl-4-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;6-(4-phenylcyclohexyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyrimidine-2,4-dione (CID 157188790) is 5-benzyl-3-methyl-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;5-[(3-chloro-2-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;5-[(2-methyl-4-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;6-(4-phenylcyclohexyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyrimidine-2,4-dione.

What is the SMILES notation for 5-benzyl-3-methyl-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;5-[(3-chloro-2-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;5-[(2-methyl-4-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;6-(4-phenylcyclohexyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyrimidine-2,4-dione?

The canonical SMILES for 5-benzyl-3-methyl-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;5-[(3-chloro-2-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;5-[(2-methyl-4-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;6-(4-phenylcyclohexyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyrimidine-2,4-dione is Cc1cc(Cc2c(C3CCC(c4ccccc4)CC3)[nH]c(=O)[nH]c2=O)ccn1.Cn1c(=O)[nH]c(C2CCC(c3ccccc3)CC2)c(Cc2ccccc2)c1=O.O=c1[nH]c(C2CCC(c3ccccc3)CC2)c(Cc2cccc(C(F)(F)F)n2)c(=O)[nH]1.O=c1[nH]c(C2CCC(c3ccccc3)CC2)c(Cc2ncccc2Cl)c(=O)[nH]1.

What is the InChIKey of 5-benzyl-3-methyl-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;5-[(3-chloro-2-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;5-[(2-methyl-4-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;6-(4-phenylcyclohexyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyrimidine-2,4-dione?

The InChIKey is APLHBQGFQGNUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2.C23H22F3N3O2.C23H25N3O2.C22H22ClN3O2/c1-26-23(27)21(16-17-8-4-2-5-9-17)22(25-24(26)28)20-14-12-19(13-15-20)18-10-6-3-7-11-18;24-23(25,26)19-8-4-7-17(27-19)13-18-20(28-22(31)29-21(18)30)16-11-9-15(10-12-16)14-5-2-1-3-6-14;1-15-13-16(11-12-24-15)14-20-21(25-23(28)26-22(20)27)19-9-7-18(8-10-19)17-5-3-2-4-6-17;23-18-7-4-12-24-19(18)13-17-20(25-22(28)26-21(17)27)16-10-8-15(9-11-16)14-5-2-1-3-6-14/h2-11,19-20H,12-16H2,1H3,(H,25,28);1-8,15-16H,9-13H2,(H2,28,29,30,31);2-6,11-13,18-19H,7-10,14H2,1H3,(H2,25,26,27,28);1-7,12,15-16H,8-11,13H2,(H2,25,26,27,28).

What are the key properties of 5-benzyl-3-methyl-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;5-[(3-chloro-2-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;5-[(2-methyl-4-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;6-(4-phenylcyclohexyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyrimidine-2,4-dione?

5-benzyl-3-methyl-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;5-[(3-chloro-2-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;5-[(2-methyl-4-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;6-(4-phenylcyclohexyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 1575.29 g/mol, XLogP of 16.56, 16 rotatable bonds, 7 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-benzyl-3-methyl-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;5-[(3-chloro-2-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;5-[(2-methyl-4-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;6-(4-phenylcyclohexyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 157188790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).