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

C103H103Cl2F7N12O12 — CID 157334537

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

1-[2-[[1-(2-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(4-fluorophenyl)cyclohexyl]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-[[1-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone (PubChem CID 157334537) has the molecular formula C103H103Cl2F7N12O12 and a molecular weight of 1904.92 g/mol. Its IUPAC name is 1-[2-[[1-(2-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(4-fluorophenyl)cyclohexyl]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-[[1-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone.

Molecular Properties

• Compound Name: 1-[2-[[1-(2-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(4-fluorophenyl)cyclohexyl]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-[[1-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone
• PubChem CID: 157334537
• Molecular Formula: C103H103Cl2F7N12O12
• Molecular Weight: 1904.92 g/mol
• Exact Mass: 1902.71
• IUPAC Name: 1-[2-[[1-(2-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(4-fluorophenyl)cyclohexyl]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-[[1-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone
• SMILES: 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(c3ccc(F)cc3)CCCCC2)nc1.O=C(CO)c1cnc(CC2(c3cccc(Cl)c3)CC2)nc1.O=C(CO)c1cnc(CC2(c3ccccc3C(F)(F)F)CC2)nc1.O=C(CO)c1cnc(CC2(c3ccccc3Cl)CC2)nc1
• InChI: InChI=1S/C19H21FN2O2.C18H19F3N2O2.C17H15F3N2O2.C17H18N2O2.2C16H15ClN2O2/c20-16-6-4-15(5-7-16)19(8-2-1-3-9-19)10-18-21-11-14(12-22-18)17(24)13-23;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;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/h4-7,11-12,23H,1-3,8-10,13H2;4-6,8-9,24H,7,10H2,1-3H3;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: BFRKKGTZGAIQOK-UHFFFAOYSA-N
• XLogP: 17.07
• TPSA: 378.48 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 30
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1904.92
LogP ≤ 5	17.07
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

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

The IUPAC name of 1-[2-[[1-(2-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(4-fluorophenyl)cyclohexyl]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-[[1-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone (CID 157334537) is 1-[2-[[1-(2-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(4-fluorophenyl)cyclohexyl]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-[[1-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone.

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

The canonical SMILES for 1-[2-[[1-(2-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(4-fluorophenyl)cyclohexyl]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-[[1-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone is 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(c3ccc(F)cc3)CCCCC2)nc1.O=C(CO)c1cnc(CC2(c3cccc(Cl)c3)CC2)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-[[1-(2-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(4-fluorophenyl)cyclohexyl]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-[[1-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone?

The InChIKey is BFRKKGTZGAIQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2.C18H19F3N2O2.C17H15F3N2O2.C17H18N2O2.2C16H15ClN2O2/c20-16-6-4-15(5-7-16)19(8-2-1-3-9-19)10-18-21-11-14(12-22-18)17(24)13-23;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;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/h4-7,11-12,23H,1-3,8-10,13H2;4-6,8-9,24H,7,10H2,1-3H3;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-[[1-(2-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(4-fluorophenyl)cyclohexyl]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-[[1-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone?

1-[2-[[1-(2-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(4-fluorophenyl)cyclohexyl]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-[[1-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone has a molecular weight of 1904.92 g/mol, XLogP of 17.07, 30 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[[1-(2-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(4-fluorophenyl)cyclohexyl]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-[[1-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone is sourced from PubChem (CID 157334537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).