1-[2-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(2,6-difluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[[1-(4-methoxyphenyl)cyclohexyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-(3-methoxyphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;N-hydroxy-2-(piperidin-4-ylmethyl)pyrimidine-5-carboxamide;2-hydroxy-1-[2-[[1-[3-(trifluoromethoxy)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone

C114H116F10N16O17 — CID 158077940

About 1-[2-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(2,6-difluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[[1-(4-methoxyphenyl)cyclohexyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-(3-methoxyphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;N-hydroxy-2-(piperidin-4-ylmethyl)pyrimidine-5-carboxamide;2-hydroxy-1-[2-[[1-[3-(trifluoromethoxy)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone

1-[2-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(2,6-difluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[[1-(4-methoxyphenyl)cyclohexyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-(3-methoxyphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;N-hydroxy-2-(piperidin-4-ylmethyl)pyrimidine-5-carboxamide;2-hydroxy-1-[2-[[1-[3-(trifluoromethoxy)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone (PubChem CID 158077940) has the molecular formula C114H116F10N16O17 and a molecular weight of 2172.26 g/mol. Its IUPAC name is 1-[2-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(2,6-difluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[[1-(4-methoxyphenyl)cyclohexyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-(3-methoxyphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;N-hydroxy-2-(piperidin-4-ylmethyl)pyrimidine-5-carboxamide;2-hydroxy-1-[2-[[1-[3-(trifluoromethoxy)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone.

Molecular Properties

• Compound Name: 1-[2-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(2,6-difluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[[1-(4-methoxyphenyl)cyclohexyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-(3-methoxyphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;N-hydroxy-2-(piperidin-4-ylmethyl)pyrimidine-5-carboxamide;2-hydroxy-1-[2-[[1-[3-(trifluoromethoxy)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone
• PubChem CID: 158077940
• Molecular Formula: C114H116F10N16O17
• Molecular Weight: 2172.26 g/mol
• Exact Mass: 2170.85
• IUPAC Name: 1-[2-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(2,6-difluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[[1-(4-methoxyphenyl)cyclohexyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-(3-methoxyphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;N-hydroxy-2-(piperidin-4-ylmethyl)pyrimidine-5-carboxamide;2-hydroxy-1-[2-[[1-[3-(trifluoromethoxy)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone
• SMILES: COc1ccc(C2(Cc3ncc(C(=O)CO)cn3)CCCCC2)cc1.COc1cccc(C2(Cc3ncc(C(=O)CO)cn3)CC2)c1.O=C(CO)c1cnc(CC2(c3c(F)cccc3F)CC2)nc1.O=C(CO)c1cnc(CC2(c3ccc(F)cc3F)CC2)nc1.O=C(CO)c1cnc(CC2(c3cccc(C(F)(F)F)c3)CC2)nc1.O=C(CO)c1cnc(CC2(c3cccc(OC(F)(F)F)c3)CC2)nc1.O=C(NO)c1cnc(CC2CCNCC2)nc1
• InChI: InChI=1S/C20H24N2O3.C17H15F3N2O3.C17H15F3N2O2.C17H18N2O3.2C16H14F2N2O2.C11H16N4O2/c1-25-17-7-5-16(6-8-17)20(9-3-2-4-10-20)11-19-21-12-15(13-22-19)18(24)14-23;18-17(19,20)25-13-3-1-2-12(6-13)16(4-5-16)7-15-21-8-11(9-22-15)14(24)10-23;18-17(19,20)13-3-1-2-12(6-13)16(4-5-16)7-15-21-8-11(9-22-15)14(24)10-23;1-22-14-4-2-3-13(7-14)17(5-6-17)8-16-18-9-12(10-19-16)15(21)11-20;17-11-1-2-12(13(18)5-11)16(3-4-16)6-15-19-7-10(8-20-15)14(22)9-21;17-11-2-1-3-12(18)15(11)16(4-5-16)6-14-19-7-10(8-20-14)13(22)9-21;16-11(15-17)9-6-13-10(14-7-9)5-8-1-3-12-4-2-8/h5-8,12-13,23H,2-4,9-11,14H2,1H3;1-3,6,8-9,23H,4-5,7,10H2;1-3,6,8-9,23H,4-5,7,10H2;2-4,7,9-10,20H,5-6,8,11H2,1H3;1-2,5,7-8,21H,3-4,6,9H2;1-3,7-8,21H,4-6,9H2;6-8,12,17H,1-5H2,(H,15,16)
• InChIKey: FMPFTTVQSLHXIK-UHFFFAOYSA-N
• XLogP: 15.35
• TPSA: 493.31 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 32
• Rotatable Bonds: 36
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2172.26
LogP ≤ 5	15.35
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(2,6-difluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[[1-(4-methoxyphenyl)cyclohexyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-(3-methoxyphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;N-hydroxy-2-(piperidin-4-ylmethyl)pyrimidine-5-carboxamide;2-hydroxy-1-[2-[[1-[3-(trifluoromethoxy)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone?

The IUPAC name of 1-[2-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(2,6-difluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[[1-(4-methoxyphenyl)cyclohexyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-(3-methoxyphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;N-hydroxy-2-(piperidin-4-ylmethyl)pyrimidine-5-carboxamide;2-hydroxy-1-[2-[[1-[3-(trifluoromethoxy)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone (CID 158077940) is 1-[2-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(2,6-difluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[[1-(4-methoxyphenyl)cyclohexyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-(3-methoxyphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;N-hydroxy-2-(piperidin-4-ylmethyl)pyrimidine-5-carboxamide;2-hydroxy-1-[2-[[1-[3-(trifluoromethoxy)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone.

What is the SMILES notation for 1-[2-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(2,6-difluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[[1-(4-methoxyphenyl)cyclohexyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-(3-methoxyphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;N-hydroxy-2-(piperidin-4-ylmethyl)pyrimidine-5-carboxamide;2-hydroxy-1-[2-[[1-[3-(trifluoromethoxy)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone?

The canonical SMILES for 1-[2-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(2,6-difluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[[1-(4-methoxyphenyl)cyclohexyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-(3-methoxyphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;N-hydroxy-2-(piperidin-4-ylmethyl)pyrimidine-5-carboxamide;2-hydroxy-1-[2-[[1-[3-(trifluoromethoxy)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone is COc1ccc(C2(Cc3ncc(C(=O)CO)cn3)CCCCC2)cc1.COc1cccc(C2(Cc3ncc(C(=O)CO)cn3)CC2)c1.O=C(CO)c1cnc(CC2(c3c(F)cccc3F)CC2)nc1.O=C(CO)c1cnc(CC2(c3ccc(F)cc3F)CC2)nc1.O=C(CO)c1cnc(CC2(c3cccc(C(F)(F)F)c3)CC2)nc1.O=C(CO)c1cnc(CC2(c3cccc(OC(F)(F)F)c3)CC2)nc1.O=C(NO)c1cnc(CC2CCNCC2)nc1.

What is the InChIKey of 1-[2-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(2,6-difluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[[1-(4-methoxyphenyl)cyclohexyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-(3-methoxyphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;N-hydroxy-2-(piperidin-4-ylmethyl)pyrimidine-5-carboxamide;2-hydroxy-1-[2-[[1-[3-(trifluoromethoxy)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone?

The InChIKey is FMPFTTVQSLHXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3.C17H15F3N2O3.C17H15F3N2O2.C17H18N2O3.2C16H14F2N2O2.C11H16N4O2/c1-25-17-7-5-16(6-8-17)20(9-3-2-4-10-20)11-19-21-12-15(13-22-19)18(24)14-23;18-17(19,20)25-13-3-1-2-12(6-13)16(4-5-16)7-15-21-8-11(9-22-15)14(24)10-23;18-17(19,20)13-3-1-2-12(6-13)16(4-5-16)7-15-21-8-11(9-22-15)14(24)10-23;1-22-14-4-2-3-13(7-14)17(5-6-17)8-16-18-9-12(10-19-16)15(21)11-20;17-11-1-2-12(13(18)5-11)16(3-4-16)6-15-19-7-10(8-20-15)14(22)9-21;17-11-2-1-3-12(18)15(11)16(4-5-16)6-14-19-7-10(8-20-14)13(22)9-21;16-11(15-17)9-6-13-10(14-7-9)5-8-1-3-12-4-2-8/h5-8,12-13,23H,2-4,9-11,14H2,1H3;1-3,6,8-9,23H,4-5,7,10H2;1-3,6,8-9,23H,4-5,7,10H2;2-4,7,9-10,20H,5-6,8,11H2,1H3;1-2,5,7-8,21H,3-4,6,9H2;1-3,7-8,21H,4-6,9H2;6-8,12,17H,1-5H2,(H,15,16).

What are the key properties of 1-[2-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(2,6-difluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[[1-(4-methoxyphenyl)cyclohexyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-(3-methoxyphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;N-hydroxy-2-(piperidin-4-ylmethyl)pyrimidine-5-carboxamide;2-hydroxy-1-[2-[[1-[3-(trifluoromethoxy)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone?

1-[2-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(2,6-difluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[[1-(4-methoxyphenyl)cyclohexyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-(3-methoxyphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;N-hydroxy-2-(piperidin-4-ylmethyl)pyrimidine-5-carboxamide;2-hydroxy-1-[2-[[1-[3-(trifluoromethoxy)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone has a molecular weight of 2172.26 g/mol, XLogP of 15.35, 36 rotatable bonds, 9 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(2,6-difluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[[1-(4-methoxyphenyl)cyclohexyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-(3-methoxyphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;N-hydroxy-2-(piperidin-4-ylmethyl)pyrimidine-5-carboxamide;2-hydroxy-1-[2-[[1-[3-(trifluoromethoxy)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone is sourced from PubChem (CID 158077940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).