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

C123H120Cl2F8N14O15 — CID 160809425

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

1-[2-[2,2-bis(4-fluorophenyl)propyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(2-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[2-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]propyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-(4-methylphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[(4-phenyloxan-4-yl)methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone (PubChem CID 160809425) has the molecular formula C123H120Cl2F8N14O15 and a molecular weight of 2257.29 g/mol. Its IUPAC name is 1-[2-[2,2-bis(4-fluorophenyl)propyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(2-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[2-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]propyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-(4-methylphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[(4-phenyloxan-4-yl)methyl]pyrimidin-5-yl]ethanone;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)propyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(2-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[2-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]propyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-(4-methylphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[(4-phenyloxan-4-yl)methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone
• PubChem CID: 160809425
• Molecular Formula: C123H120Cl2F8N14O15
• Molecular Weight: 2257.29 g/mol
• Exact Mass: 2254.83
• IUPAC Name: 1-[2-[2,2-bis(4-fluorophenyl)propyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(2-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[2-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]propyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-(4-methylphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[(4-phenyloxan-4-yl)methyl]pyrimidin-5-yl]ethanone;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.Cc1cc(C(F)(F)F)cc(C(C)(C)Cc2ncc(C(=O)CO)cn2)c1.Cc1ccc(C2(Cc3ncc(C(=O)CO)cn3)CC2)cc1.O=C(CO)c1cnc(CC2(c3cccc(Cl)c3)CC2)nc1.O=C(CO)c1cnc(CC2(c3ccccc3)CCOCC2)nc1.O=C(CO)c1cnc(CC2(c3ccccc3C(F)(F)F)CC2)nc1.O=C(CO)c1cnc(CC2(c3ccccc3Cl)CC2)nc1
• InChI: InChI=1S/C21H18F2N2O2.C18H19F3N2O2.C18H20N2O3.C17H15F3N2O2.C17H18N2O2.2C16H15ClN2O2/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;1-11-4-13(6-14(5-11)18(19,20)21)17(2,3)7-16-22-8-12(9-23-16)15(25)10-24;21-13-16(22)14-11-19-17(20-12-14)10-18(6-8-23-9-7-18)15-4-2-1-3-5-15;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;1-12-2-4-14(5-3-12)17(6-7-17)8-16-18-9-13(10-19-16)15(21)11-20;17-13-3-1-2-12(6-13)16(4-5-16)7-15-18-8-11(9-19-15)14(21)10-20;17-13-4-2-1-3-12(13)16(5-6-16)7-15-18-8-11(9-19-15)14(21)10-20/h2-9,11-12,26H,10,13H2,1H3;4-6,8-9,24H,7,10H2,1-3H3;1-5,11-12,21H,6-10,13H2;1-4,8-9,23H,5-7,10H2;2-5,9-10,20H,6-8,11H2,1H3;1-3,6,8-9,20H,4-5,7,10H2;1-4,8-9,20H,5-7,10H2
• InChIKey: SECUCYSOQWDGSC-UHFFFAOYSA-N
• XLogP: 19.26
• TPSA: 450.79 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 29
• Rotatable Bonds: 36
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2257.29
LogP ≤ 5	19.26
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2,2-bis(4-fluorophenyl)propyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(2-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[2-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]propyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-(4-methylphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[(4-phenyloxan-4-yl)methyl]pyrimidin-5-yl]ethanone;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)propyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(2-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[2-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]propyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-(4-methylphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[(4-phenyloxan-4-yl)methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone (CID 160809425) is 1-[2-[2,2-bis(4-fluorophenyl)propyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(2-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[2-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]propyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-(4-methylphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[(4-phenyloxan-4-yl)methyl]pyrimidin-5-yl]ethanone;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)propyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(2-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[2-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]propyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-(4-methylphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[(4-phenyloxan-4-yl)methyl]pyrimidin-5-yl]ethanone;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)propyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(2-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[2-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]propyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-(4-methylphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[(4-phenyloxan-4-yl)methyl]pyrimidin-5-yl]ethanone;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.Cc1cc(C(F)(F)F)cc(C(C)(C)Cc2ncc(C(=O)CO)cn2)c1.Cc1ccc(C2(Cc3ncc(C(=O)CO)cn3)CC2)cc1.O=C(CO)c1cnc(CC2(c3cccc(Cl)c3)CC2)nc1.O=C(CO)c1cnc(CC2(c3ccccc3)CCOCC2)nc1.O=C(CO)c1cnc(CC2(c3ccccc3C(F)(F)F)CC2)nc1.O=C(CO)c1cnc(CC2(c3ccccc3Cl)CC2)nc1.

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

The InChIKey is SECUCYSOQWDGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O2.C18H19F3N2O2.C18H20N2O3.C17H15F3N2O2.C17H18N2O2.2C16H15ClN2O2/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;1-11-4-13(6-14(5-11)18(19,20)21)17(2,3)7-16-22-8-12(9-23-16)15(25)10-24;21-13-16(22)14-11-19-17(20-12-14)10-18(6-8-23-9-7-18)15-4-2-1-3-5-15;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;1-12-2-4-14(5-3-12)17(6-7-17)8-16-18-9-13(10-19-16)15(21)11-20;17-13-3-1-2-12(6-13)16(4-5-16)7-15-18-8-11(9-19-15)14(21)10-20;17-13-4-2-1-3-12(13)16(5-6-16)7-15-18-8-11(9-19-15)14(21)10-20/h2-9,11-12,26H,10,13H2,1H3;4-6,8-9,24H,7,10H2,1-3H3;1-5,11-12,21H,6-10,13H2;1-4,8-9,23H,5-7,10H2;2-5,9-10,20H,6-8,11H2,1H3;1-3,6,8-9,20H,4-5,7,10H2;1-4,8-9,20H,5-7,10H2.

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

1-[2-[2,2-bis(4-fluorophenyl)propyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(2-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[2-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]propyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-(4-methylphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[(4-phenyloxan-4-yl)methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone has a molecular weight of 2257.29 g/mol, XLogP of 19.26, 36 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[2,2-bis(4-fluorophenyl)propyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(2-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[2-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]propyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-(4-methylphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[(4-phenyloxan-4-yl)methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone is sourced from PubChem (CID 160809425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).