2-(1-adamantylamino)-N-hydroxypyrimidine-5-carboxamide;1-[2-[2-(3-chloro-4-fluorophenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(4-chloro-2-methylphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2,6-dimethylphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[2-(2-phenylphenyl)ethyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[3-(2-phenylphenyl)propyl]pyrimidin-5-yl]ethanone

C116H115Cl2F5N16O14 — CID 158731699

About 2-(1-adamantylamino)-N-hydroxypyrimidine-5-carboxamide;1-[2-[2-(3-chloro-4-fluorophenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(4-chloro-2-methylphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2,6-dimethylphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[2-(2-phenylphenyl)ethyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[3-(2-phenylphenyl)propyl]pyrimidin-5-yl]ethanone

2-(1-adamantylamino)-N-hydroxypyrimidine-5-carboxamide;1-[2-[2-(3-chloro-4-fluorophenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(4-chloro-2-methylphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2,6-dimethylphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[2-(2-phenylphenyl)ethyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[3-(2-phenylphenyl)propyl]pyrimidin-5-yl]ethanone (PubChem CID 158731699) has the molecular formula C116H115Cl2F5N16O14 and a molecular weight of 2123.19 g/mol. Its IUPAC name is 2-(1-adamantylamino)-N-hydroxypyrimidine-5-carboxamide;1-[2-[2-(3-chloro-4-fluorophenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(4-chloro-2-methylphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2,6-dimethylphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[2-(2-phenylphenyl)ethyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[3-(2-phenylphenyl)propyl]pyrimidin-5-yl]ethanone.

Molecular Properties

• Compound Name: 2-(1-adamantylamino)-N-hydroxypyrimidine-5-carboxamide;1-[2-[2-(3-chloro-4-fluorophenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(4-chloro-2-methylphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2,6-dimethylphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[2-(2-phenylphenyl)ethyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[3-(2-phenylphenyl)propyl]pyrimidin-5-yl]ethanone
• PubChem CID: 158731699
• Molecular Formula: C116H115Cl2F5N16O14
• Molecular Weight: 2123.19 g/mol
• Exact Mass: 2120.81
• IUPAC Name: 2-(1-adamantylamino)-N-hydroxypyrimidine-5-carboxamide;1-[2-[2-(3-chloro-4-fluorophenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(4-chloro-2-methylphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2,6-dimethylphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[2-(2-phenylphenyl)ethyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[3-(2-phenylphenyl)propyl]pyrimidin-5-yl]ethanone
• SMILES: Cc1cc(Cl)ccc1CCc1ncc(C(=O)CO)cn1.Cc1cccc(C)c1CCc1ncc(C(=O)CO)cn1.O=C(CO)c1cnc(CCCc2ccccc2-c2ccccc2)nc1.O=C(CO)c1cnc(CCc2ccc(F)c(Cl)c2)nc1.O=C(CO)c1cnc(CCc2ccc(F)cc2C(F)(F)F)nc1.O=C(CO)c1cnc(CCc2ccccc2-c2ccccc2)nc1.O=C(NO)c1cnc(NC23CC4CC(CC(C4)C2)C3)nc1
• InChI: InChI=1S/C21H20N2O2.C20H18N2O2.C16H18N2O2.C15H15ClN2O2.C15H12F4N2O2.C15H20N4O2.C14H12ClFN2O2/c24-15-20(25)18-13-22-21(23-14-18)12-6-10-17-9-4-5-11-19(17)16-7-2-1-3-8-16;23-14-19(24)17-12-21-20(22-13-17)11-10-16-8-4-5-9-18(16)15-6-2-1-3-7-15;1-11-4-3-5-12(2)14(11)6-7-16-17-8-13(9-18-16)15(20)10-19;1-10-6-13(16)4-2-11(10)3-5-15-17-7-12(8-18-15)14(20)9-19;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;20-13(19-21)12-7-16-14(17-8-12)18-15-4-9-1-10(5-15)3-11(2-9)6-15;15-11-5-9(1-3-12(11)16)2-4-14-17-6-10(7-18-14)13(20)8-19/h1-5,7-9,11,13-14,24H,6,10,12,15H2;1-9,12-13,23H,10-11,14H2;3-5,8-9,19H,6-7,10H2,1-2H3;2,4,6-8,19H,3,5,9H2,1H3;1,3,5-7,22H,2,4,8H2;7-11,21H,1-6H2,(H,19,20)(H,16,17,18);1,3,5-7,19H,2,4,8H2
• InChIKey: ILEFKPDKVPYNFY-UHFFFAOYSA-N
• XLogP: 17.85
• TPSA: 465.62 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 29
• Rotatable Bonds: 36
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2123.19
LogP ≤ 5	17.85
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	29

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 2-(1-adamantylamino)-N-hydroxypyrimidine-5-carboxamide;1-[2-[2-(3-chloro-4-fluorophenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(4-chloro-2-methylphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2,6-dimethylphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[2-(2-phenylphenyl)ethyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[3-(2-phenylphenyl)propyl]pyrimidin-5-yl]ethanone?

The IUPAC name of 2-(1-adamantylamino)-N-hydroxypyrimidine-5-carboxamide;1-[2-[2-(3-chloro-4-fluorophenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(4-chloro-2-methylphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2,6-dimethylphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[2-(2-phenylphenyl)ethyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[3-(2-phenylphenyl)propyl]pyrimidin-5-yl]ethanone (CID 158731699) is 2-(1-adamantylamino)-N-hydroxypyrimidine-5-carboxamide;1-[2-[2-(3-chloro-4-fluorophenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(4-chloro-2-methylphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2,6-dimethylphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[2-(2-phenylphenyl)ethyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[3-(2-phenylphenyl)propyl]pyrimidin-5-yl]ethanone.

What is the SMILES notation for 2-(1-adamantylamino)-N-hydroxypyrimidine-5-carboxamide;1-[2-[2-(3-chloro-4-fluorophenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(4-chloro-2-methylphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2,6-dimethylphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[2-(2-phenylphenyl)ethyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[3-(2-phenylphenyl)propyl]pyrimidin-5-yl]ethanone?

The canonical SMILES for 2-(1-adamantylamino)-N-hydroxypyrimidine-5-carboxamide;1-[2-[2-(3-chloro-4-fluorophenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(4-chloro-2-methylphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2,6-dimethylphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[2-(2-phenylphenyl)ethyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[3-(2-phenylphenyl)propyl]pyrimidin-5-yl]ethanone is Cc1cc(Cl)ccc1CCc1ncc(C(=O)CO)cn1.Cc1cccc(C)c1CCc1ncc(C(=O)CO)cn1.O=C(CO)c1cnc(CCCc2ccccc2-c2ccccc2)nc1.O=C(CO)c1cnc(CCc2ccc(F)c(Cl)c2)nc1.O=C(CO)c1cnc(CCc2ccc(F)cc2C(F)(F)F)nc1.O=C(CO)c1cnc(CCc2ccccc2-c2ccccc2)nc1.O=C(NO)c1cnc(NC23CC4CC(CC(C4)C2)C3)nc1.

What is the InChIKey of 2-(1-adamantylamino)-N-hydroxypyrimidine-5-carboxamide;1-[2-[2-(3-chloro-4-fluorophenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(4-chloro-2-methylphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2,6-dimethylphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[2-(2-phenylphenyl)ethyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[3-(2-phenylphenyl)propyl]pyrimidin-5-yl]ethanone?

The InChIKey is ILEFKPDKVPYNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2.C20H18N2O2.C16H18N2O2.C15H15ClN2O2.C15H12F4N2O2.C15H20N4O2.C14H12ClFN2O2/c24-15-20(25)18-13-22-21(23-14-18)12-6-10-17-9-4-5-11-19(17)16-7-2-1-3-8-16;23-14-19(24)17-12-21-20(22-13-17)11-10-16-8-4-5-9-18(16)15-6-2-1-3-7-15;1-11-4-3-5-12(2)14(11)6-7-16-17-8-13(9-18-16)15(20)10-19;1-10-6-13(16)4-2-11(10)3-5-15-17-7-12(8-18-15)14(20)9-19;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;20-13(19-21)12-7-16-14(17-8-12)18-15-4-9-1-10(5-15)3-11(2-9)6-15;15-11-5-9(1-3-12(11)16)2-4-14-17-6-10(7-18-14)13(20)8-19/h1-5,7-9,11,13-14,24H,6,10,12,15H2;1-9,12-13,23H,10-11,14H2;3-5,8-9,19H,6-7,10H2,1-2H3;2,4,6-8,19H,3,5,9H2,1H3;1,3,5-7,22H,2,4,8H2;7-11,21H,1-6H2,(H,19,20)(H,16,17,18);1,3,5-7,19H,2,4,8H2.

What are the key properties of 2-(1-adamantylamino)-N-hydroxypyrimidine-5-carboxamide;1-[2-[2-(3-chloro-4-fluorophenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(4-chloro-2-methylphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2,6-dimethylphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[2-(2-phenylphenyl)ethyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[3-(2-phenylphenyl)propyl]pyrimidin-5-yl]ethanone?

2-(1-adamantylamino)-N-hydroxypyrimidine-5-carboxamide;1-[2-[2-(3-chloro-4-fluorophenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(4-chloro-2-methylphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2,6-dimethylphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[2-(2-phenylphenyl)ethyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[3-(2-phenylphenyl)propyl]pyrimidin-5-yl]ethanone has a molecular weight of 2123.19 g/mol, XLogP of 17.85, 36 rotatable bonds, 9 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-adamantylamino)-N-hydroxypyrimidine-5-carboxamide;1-[2-[2-(3-chloro-4-fluorophenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(4-chloro-2-methylphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2,6-dimethylphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[2-(2-phenylphenyl)ethyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[3-(2-phenylphenyl)propyl]pyrimidin-5-yl]ethanone is sourced from PubChem (CID 158731699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).