1-[2-[2-(2,4-difluorophenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(4-fluoro-2-methylphenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2-fluorophenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(4-fluorophenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[2-methyl-2-(4-methylphenyl)propyl]pyrimidin-5-yl]ethanone

C97H101F9N12O12 — CID 159232538

About 1-[2-[2-(2,4-difluorophenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(4-fluoro-2-methylphenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2-fluorophenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(4-fluorophenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[2-methyl-2-(4-methylphenyl)propyl]pyrimidin-5-yl]ethanone

1-[2-[2-(2,4-difluorophenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(4-fluoro-2-methylphenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2-fluorophenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(4-fluorophenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[2-methyl-2-(4-methylphenyl)propyl]pyrimidin-5-yl]ethanone (PubChem CID 159232538) has the molecular formula C97H101F9N12O12 and a molecular weight of 1797.93 g/mol. Its IUPAC name is 1-[2-[2-(2,4-difluorophenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(4-fluoro-2-methylphenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2-fluorophenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(4-fluorophenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[2-methyl-2-(4-methylphenyl)propyl]pyrimidin-5-yl]ethanone.

Molecular Properties

• Compound Name: 1-[2-[2-(2,4-difluorophenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(4-fluoro-2-methylphenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2-fluorophenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(4-fluorophenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[2-methyl-2-(4-methylphenyl)propyl]pyrimidin-5-yl]ethanone
• PubChem CID: 159232538
• Molecular Formula: C97H101F9N12O12
• Molecular Weight: 1797.93 g/mol
• Exact Mass: 1796.75
• IUPAC Name: 1-[2-[2-(2,4-difluorophenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(4-fluoro-2-methylphenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2-fluorophenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(4-fluorophenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[2-methyl-2-(4-methylphenyl)propyl]pyrimidin-5-yl]ethanone
• SMILES: CC(C)(Cc1ncc(C(=O)CO)cn1)c1ccc(F)cc1.CC(C)(Cc1ncc(C(=O)CO)cn1)c1ccc(F)cc1F.CC(C)(Cc1ncc(C(=O)CO)cn1)c1ccccc1F.Cc1cc(F)ccc1C(C)(C)Cc1ncc(C(=O)CO)cn1.Cc1ccc(C(C)(C)Cc2ncc(C(=O)CO)cn2)cc1.O=C(CO)c1cnc(CCc2ccc(F)cc2C(F)(F)F)nc1
• InChI: InChI=1S/C17H19FN2O2.C17H20N2O2.C16H16F2N2O2.2C16H17FN2O2.C15H12F4N2O2/c1-11-6-13(18)4-5-14(11)17(2,3)7-16-19-8-12(9-20-16)15(22)10-21;1-12-4-6-14(7-5-12)17(2,3)8-16-18-9-13(10-19-16)15(21)11-20;1-16(2,12-4-3-11(17)5-13(12)18)6-15-19-7-10(8-20-15)14(22)9-21;1-16(2,12-3-5-13(17)6-4-12)7-15-18-8-11(9-19-15)14(21)10-20;1-16(2,12-5-3-4-6-13(12)17)7-15-18-8-11(9-19-15)14(21)10-20;16-11-3-1-9(12(5-11)15(17,18)19)2-4-14-20-6-10(7-21-14)13(23)8-22/h4-6,8-9,21H,7,10H2,1-3H3;4-7,9-10,20H,8,11H2,1-3H3;3-5,7-8,21H,6,9H2,1-2H3;2*3-6,8-9,20H,7,10H2,1-2H3;1,3,5-7,22H,2,4,8H2
• InChIKey: KTBWWJCGPOKUPO-UHFFFAOYSA-N
• XLogP: 14.77
• TPSA: 378.48 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 30
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1797.93
LogP ≤ 5	14.77
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2,4-difluorophenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(4-fluoro-2-methylphenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2-fluorophenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(4-fluorophenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[2-methyl-2-(4-methylphenyl)propyl]pyrimidin-5-yl]ethanone?

The IUPAC name of 1-[2-[2-(2,4-difluorophenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(4-fluoro-2-methylphenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2-fluorophenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(4-fluorophenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[2-methyl-2-(4-methylphenyl)propyl]pyrimidin-5-yl]ethanone (CID 159232538) is 1-[2-[2-(2,4-difluorophenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(4-fluoro-2-methylphenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2-fluorophenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(4-fluorophenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[2-methyl-2-(4-methylphenyl)propyl]pyrimidin-5-yl]ethanone.

What is the SMILES notation for 1-[2-[2-(2,4-difluorophenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(4-fluoro-2-methylphenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2-fluorophenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(4-fluorophenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[2-methyl-2-(4-methylphenyl)propyl]pyrimidin-5-yl]ethanone?

The canonical SMILES for 1-[2-[2-(2,4-difluorophenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(4-fluoro-2-methylphenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2-fluorophenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(4-fluorophenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[2-methyl-2-(4-methylphenyl)propyl]pyrimidin-5-yl]ethanone is CC(C)(Cc1ncc(C(=O)CO)cn1)c1ccc(F)cc1.CC(C)(Cc1ncc(C(=O)CO)cn1)c1ccc(F)cc1F.CC(C)(Cc1ncc(C(=O)CO)cn1)c1ccccc1F.Cc1cc(F)ccc1C(C)(C)Cc1ncc(C(=O)CO)cn1.Cc1ccc(C(C)(C)Cc2ncc(C(=O)CO)cn2)cc1.O=C(CO)c1cnc(CCc2ccc(F)cc2C(F)(F)F)nc1.

What is the InChIKey of 1-[2-[2-(2,4-difluorophenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(4-fluoro-2-methylphenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2-fluorophenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(4-fluorophenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[2-methyl-2-(4-methylphenyl)propyl]pyrimidin-5-yl]ethanone?

The InChIKey is KTBWWJCGPOKUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2.C17H20N2O2.C16H16F2N2O2.2C16H17FN2O2.C15H12F4N2O2/c1-11-6-13(18)4-5-14(11)17(2,3)7-16-19-8-12(9-20-16)15(22)10-21;1-12-4-6-14(7-5-12)17(2,3)8-16-18-9-13(10-19-16)15(21)11-20;1-16(2,12-4-3-11(17)5-13(12)18)6-15-19-7-10(8-20-15)14(22)9-21;1-16(2,12-3-5-13(17)6-4-12)7-15-18-8-11(9-19-15)14(21)10-20;1-16(2,12-5-3-4-6-13(12)17)7-15-18-8-11(9-19-15)14(21)10-20;16-11-3-1-9(12(5-11)15(17,18)19)2-4-14-20-6-10(7-21-14)13(23)8-22/h4-6,8-9,21H,7,10H2,1-3H3;4-7,9-10,20H,8,11H2,1-3H3;3-5,7-8,21H,6,9H2,1-2H3;2*3-6,8-9,20H,7,10H2,1-2H3;1,3,5-7,22H,2,4,8H2.

What are the key properties of 1-[2-[2-(2,4-difluorophenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(4-fluoro-2-methylphenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2-fluorophenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(4-fluorophenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[2-methyl-2-(4-methylphenyl)propyl]pyrimidin-5-yl]ethanone?

1-[2-[2-(2,4-difluorophenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(4-fluoro-2-methylphenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2-fluorophenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(4-fluorophenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[2-methyl-2-(4-methylphenyl)propyl]pyrimidin-5-yl]ethanone has a molecular weight of 1797.93 g/mol, XLogP of 14.77, 30 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[2-(2,4-difluorophenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(4-fluoro-2-methylphenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2-fluorophenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(4-fluorophenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[2-methyl-2-(4-methylphenyl)propyl]pyrimidin-5-yl]ethanone is sourced from PubChem (CID 159232538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).