1-[2-[2,2-bis(4-fluorophenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2,2-bis(4-fluorophenyl)propyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-fluorophenyl)cyclohexyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[[1-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone

C109H100ClF9N12O12 — CID 160768664

About 1-[2-[2,2-bis(4-fluorophenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2,2-bis(4-fluorophenyl)propyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-fluorophenyl)cyclohexyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[[1-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone

1-[2-[2,2-bis(4-fluorophenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2,2-bis(4-fluorophenyl)propyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-fluorophenyl)cyclohexyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[[1-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone (PubChem CID 160768664) has the molecular formula C109H100ClF9N12O12 and a molecular weight of 1976.51 g/mol. Its IUPAC name is 1-[2-[2,2-bis(4-fluorophenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2,2-bis(4-fluorophenyl)propyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-fluorophenyl)cyclohexyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[[1-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone.

Molecular Properties

• Compound Name: 1-[2-[2,2-bis(4-fluorophenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2,2-bis(4-fluorophenyl)propyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-fluorophenyl)cyclohexyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[[1-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone
• PubChem CID: 160768664
• Molecular Formula: C109H100ClF9N12O12
• Molecular Weight: 1976.51 g/mol
• Exact Mass: 1974.71
• IUPAC Name: 1-[2-[2,2-bis(4-fluorophenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2,2-bis(4-fluorophenyl)propyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-fluorophenyl)cyclohexyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[[1-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone
• SMILES: CC(Cc1ncc(C(=O)CO)cn1)(c1ccc(F)cc1)c1ccc(F)cc1.O=C(CO)c1cnc(CC(c2ccc(F)cc2)c2ccc(F)cc2)nc1.O=C(CO)c1cnc(CC2(c3cccc(Cl)c3)CC2)nc1.O=C(CO)c1cnc(CC2(c3cccc(F)c3)CC2)nc1.O=C(CO)c1cnc(CC2(c3cccc(F)c3)CCCCC2)nc1.O=C(CO)c1cnc(CC2(c3ccccc3C(F)(F)F)CC2)nc1
• InChI: InChI=1S/C21H18F2N2O2.C20H16F2N2O2.C19H21FN2O2.C17H15F3N2O2.C16H15ClN2O2.C16H15FN2O2/c1-21(15-2-6-17(22)7-3-15,16-4-8-18(23)9-5-16)10-20-24-11-14(12-25-20)19(27)13-26;21-16-5-1-13(2-6-16)18(14-3-7-17(22)8-4-14)9-20-23-10-15(11-24-20)19(26)12-25;20-16-6-4-5-15(9-16)19(7-2-1-3-8-19)10-18-21-11-14(12-22-18)17(24)13-23;18-17(19,20)13-4-2-1-3-12(13)16(5-6-16)7-15-21-8-11(9-22-15)14(24)10-23;2*17-13-3-1-2-12(6-13)16(4-5-16)7-15-18-8-11(9-19-15)14(21)10-20/h2-9,11-12,26H,10,13H2,1H3;1-8,10-11,18,25H,9,12H2;4-6,9,11-12,23H,1-3,7-8,10,13H2;1-4,8-9,23H,5-7,10H2;2*1-3,6,8-9,20H,4-5,7,10H2
• InChIKey: RZAGFLRWWCGETA-UHFFFAOYSA-N
• XLogP: 17.61
• TPSA: 378.48 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 32
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1976.51
LogP ≤ 5	17.61
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2,2-bis(4-fluorophenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2,2-bis(4-fluorophenyl)propyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-fluorophenyl)cyclohexyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[[1-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone?

The IUPAC name of 1-[2-[2,2-bis(4-fluorophenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2,2-bis(4-fluorophenyl)propyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-fluorophenyl)cyclohexyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[[1-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone (CID 160768664) is 1-[2-[2,2-bis(4-fluorophenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2,2-bis(4-fluorophenyl)propyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-fluorophenyl)cyclohexyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[[1-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone.

What is the SMILES notation for 1-[2-[2,2-bis(4-fluorophenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2,2-bis(4-fluorophenyl)propyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-fluorophenyl)cyclohexyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[[1-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone?

The canonical SMILES for 1-[2-[2,2-bis(4-fluorophenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2,2-bis(4-fluorophenyl)propyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-fluorophenyl)cyclohexyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[[1-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone is CC(Cc1ncc(C(=O)CO)cn1)(c1ccc(F)cc1)c1ccc(F)cc1.O=C(CO)c1cnc(CC(c2ccc(F)cc2)c2ccc(F)cc2)nc1.O=C(CO)c1cnc(CC2(c3cccc(Cl)c3)CC2)nc1.O=C(CO)c1cnc(CC2(c3cccc(F)c3)CC2)nc1.O=C(CO)c1cnc(CC2(c3cccc(F)c3)CCCCC2)nc1.O=C(CO)c1cnc(CC2(c3ccccc3C(F)(F)F)CC2)nc1.

What is the InChIKey of 1-[2-[2,2-bis(4-fluorophenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2,2-bis(4-fluorophenyl)propyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-fluorophenyl)cyclohexyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[[1-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone?

The InChIKey is RZAGFLRWWCGETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O2.C20H16F2N2O2.C19H21FN2O2.C17H15F3N2O2.C16H15ClN2O2.C16H15FN2O2/c1-21(15-2-6-17(22)7-3-15,16-4-8-18(23)9-5-16)10-20-24-11-14(12-25-20)19(27)13-26;21-16-5-1-13(2-6-16)18(14-3-7-17(22)8-4-14)9-20-23-10-15(11-24-20)19(26)12-25;20-16-6-4-5-15(9-16)19(7-2-1-3-8-19)10-18-21-11-14(12-22-18)17(24)13-23;18-17(19,20)13-4-2-1-3-12(13)16(5-6-16)7-15-21-8-11(9-22-15)14(24)10-23;2*17-13-3-1-2-12(6-13)16(4-5-16)7-15-18-8-11(9-19-15)14(21)10-20/h2-9,11-12,26H,10,13H2,1H3;1-8,10-11,18,25H,9,12H2;4-6,9,11-12,23H,1-3,7-8,10,13H2;1-4,8-9,23H,5-7,10H2;2*1-3,6,8-9,20H,4-5,7,10H2.

What are the key properties of 1-[2-[2,2-bis(4-fluorophenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2,2-bis(4-fluorophenyl)propyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-fluorophenyl)cyclohexyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[[1-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone?

1-[2-[2,2-bis(4-fluorophenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2,2-bis(4-fluorophenyl)propyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-fluorophenyl)cyclohexyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[[1-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone has a molecular weight of 1976.51 g/mol, XLogP of 17.61, 32 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[2,2-bis(4-fluorophenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2,2-bis(4-fluorophenyl)propyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-fluorophenyl)cyclohexyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[[1-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone is sourced from PubChem (CID 160768664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).