1-[2-[[1-(3,4-dichlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(2,3-difluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3,4-difluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(4-fluoro-3-methylphenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[[1-(3-methoxy-4-methylphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-[3-methyl-5-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone

C101H96Cl2F8N12O13 — CID 158637239

About 1-[2-[[1-(3,4-dichlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(2,3-difluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3,4-difluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(4-fluoro-3-methylphenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[[1-(3-methoxy-4-methylphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-[3-methyl-5-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone

1-[2-[[1-(3,4-dichlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(2,3-difluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3,4-difluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(4-fluoro-3-methylphenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[[1-(3-methoxy-4-methylphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-[3-methyl-5-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone (PubChem CID 158637239) has the molecular formula C101H96Cl2F8N12O13 and a molecular weight of 1908.84 g/mol. Its IUPAC name is 1-[2-[[1-(3,4-dichlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(2,3-difluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3,4-difluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(4-fluoro-3-methylphenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[[1-(3-methoxy-4-methylphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-[3-methyl-5-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone.

Molecular Properties

• Compound Name: 1-[2-[[1-(3,4-dichlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(2,3-difluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3,4-difluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(4-fluoro-3-methylphenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[[1-(3-methoxy-4-methylphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-[3-methyl-5-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone
• PubChem CID: 158637239
• Molecular Formula: C101H96Cl2F8N12O13
• Molecular Weight: 1908.84 g/mol
• Exact Mass: 1906.65
• IUPAC Name: 1-[2-[[1-(3,4-dichlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(2,3-difluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3,4-difluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(4-fluoro-3-methylphenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[[1-(3-methoxy-4-methylphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-[3-methyl-5-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone
• SMILES: COc1cc(C2(Cc3ncc(C(=O)CO)cn3)CC2)ccc1C.Cc1cc(C(F)(F)F)cc(C2(Cc3ncc(C(=O)CO)cn3)CC2)c1.Cc1cc(C2(Cc3ncc(C(=O)CO)cn3)CC2)ccc1F.O=C(CO)c1cnc(CC2(c3ccc(Cl)c(Cl)c3)CC2)nc1.O=C(CO)c1cnc(CC2(c3ccc(F)c(F)c3)CC2)nc1.O=C(CO)c1cnc(CC2(c3cccc(F)c3F)CC2)nc1
• InChI: InChI=1S/C18H17F3N2O2.C18H20N2O3.C17H17FN2O2.C16H14Cl2N2O2.2C16H14F2N2O2/c1-11-4-13(6-14(5-11)18(19,20)21)17(2-3-17)7-16-22-8-12(9-23-16)15(25)10-24;1-12-3-4-14(7-16(12)23-2)18(5-6-18)8-17-19-9-13(10-20-17)15(22)11-21;1-11-6-13(2-3-14(11)18)17(4-5-17)7-16-19-8-12(9-20-16)15(22)10-21;2*17-12-2-1-11(5-13(12)18)16(3-4-16)6-15-19-7-10(8-20-15)14(22)9-21;17-12-3-1-2-11(15(12)18)16(4-5-16)6-14-19-7-10(8-20-14)13(22)9-21/h4-6,8-9,24H,2-3,7,10H2,1H3;3-4,7,9-10,21H,5-6,8,11H2,1-2H3;2-3,6,8-9,21H,4-5,7,10H2,1H3;2*1-2,5,7-8,21H,3-4,6,9H2;1-3,7-8,21H,4-6,9H2
• InChIKey: HZXPQLDHWAYUNM-UHFFFAOYSA-N
• XLogP: 15.51
• TPSA: 387.71 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 31
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1908.84
LogP ≤ 5	15.51
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[1-(3,4-dichlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(2,3-difluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3,4-difluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(4-fluoro-3-methylphenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[[1-(3-methoxy-4-methylphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-[3-methyl-5-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone?

The IUPAC name of 1-[2-[[1-(3,4-dichlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(2,3-difluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3,4-difluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(4-fluoro-3-methylphenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[[1-(3-methoxy-4-methylphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-[3-methyl-5-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone (CID 158637239) is 1-[2-[[1-(3,4-dichlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(2,3-difluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3,4-difluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(4-fluoro-3-methylphenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[[1-(3-methoxy-4-methylphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-[3-methyl-5-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone.

What is the SMILES notation for 1-[2-[[1-(3,4-dichlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(2,3-difluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3,4-difluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(4-fluoro-3-methylphenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[[1-(3-methoxy-4-methylphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-[3-methyl-5-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone?

The canonical SMILES for 1-[2-[[1-(3,4-dichlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(2,3-difluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3,4-difluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(4-fluoro-3-methylphenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[[1-(3-methoxy-4-methylphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-[3-methyl-5-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone is COc1cc(C2(Cc3ncc(C(=O)CO)cn3)CC2)ccc1C.Cc1cc(C(F)(F)F)cc(C2(Cc3ncc(C(=O)CO)cn3)CC2)c1.Cc1cc(C2(Cc3ncc(C(=O)CO)cn3)CC2)ccc1F.O=C(CO)c1cnc(CC2(c3ccc(Cl)c(Cl)c3)CC2)nc1.O=C(CO)c1cnc(CC2(c3ccc(F)c(F)c3)CC2)nc1.O=C(CO)c1cnc(CC2(c3cccc(F)c3F)CC2)nc1.

What is the InChIKey of 1-[2-[[1-(3,4-dichlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(2,3-difluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3,4-difluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(4-fluoro-3-methylphenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[[1-(3-methoxy-4-methylphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-[3-methyl-5-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone?

The InChIKey is HZXPQLDHWAYUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O2.C18H20N2O3.C17H17FN2O2.C16H14Cl2N2O2.2C16H14F2N2O2/c1-11-4-13(6-14(5-11)18(19,20)21)17(2-3-17)7-16-22-8-12(9-23-16)15(25)10-24;1-12-3-4-14(7-16(12)23-2)18(5-6-18)8-17-19-9-13(10-20-17)15(22)11-21;1-11-6-13(2-3-14(11)18)17(4-5-17)7-16-19-8-12(9-20-16)15(22)10-21;2*17-12-2-1-11(5-13(12)18)16(3-4-16)6-15-19-7-10(8-20-15)14(22)9-21;17-12-3-1-2-11(15(12)18)16(4-5-16)6-14-19-7-10(8-20-14)13(22)9-21/h4-6,8-9,24H,2-3,7,10H2,1H3;3-4,7,9-10,21H,5-6,8,11H2,1-2H3;2-3,6,8-9,21H,4-5,7,10H2,1H3;2*1-2,5,7-8,21H,3-4,6,9H2;1-3,7-8,21H,4-6,9H2.

What are the key properties of 1-[2-[[1-(3,4-dichlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(2,3-difluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3,4-difluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(4-fluoro-3-methylphenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[[1-(3-methoxy-4-methylphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-[3-methyl-5-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone?

1-[2-[[1-(3,4-dichlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(2,3-difluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3,4-difluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(4-fluoro-3-methylphenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[[1-(3-methoxy-4-methylphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-[3-methyl-5-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone has a molecular weight of 1908.84 g/mol, XLogP of 15.51, 31 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[[1-(3,4-dichlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(2,3-difluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(3,4-difluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(4-fluoro-3-methylphenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[[1-(3-methoxy-4-methylphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-[3-methyl-5-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone is sourced from PubChem (CID 158637239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).