2-(1-adamantylamino)-N-hydroxypyrimidine-5-carboxamide;1-[2-[2-(3-chloro-4-fluorophenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2,6-dimethylphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-(2,2-diphenylethyl)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

C121H118ClF5N16O14 — CID 161497826

IUPAC2-(1-adamantylamino)-N-hydroxypyrimidine-5-carboxamide;1-[2-[2-(3-chloro-4-fluorophenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2,6-dimethylphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-(2,2-diphenylethyl)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
SMILESCc1cccc(C)c1CCc1ncc(C(=O)CO)cn1.O=C(CO)c1cnc(CC(c2ccccc2)c2ccccc2)nc1.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
InChIInChI=1S/C21H20N2O2.2C20H18N2O2.C16H18N2O2.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)11-18(15-7-3-1-4-8-15)16-9-5-2-6-10-16;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;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;1-10,12-13,18,23H,11,14H2;1-9,12-13,23H,10-11,14H2;3-5,8-9,19H,6-7,10H2,1-2H3;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
InChIKeyWGLFFIWQOUBJTB-UHFFFAOYSA-N
MW2150.82 g/mol
LogP18.48
Rot. Bonds37

About 2-(1-adamantylamino)-N-hydroxypyrimidine-5-carboxamide;1-[2-[2-(3-chloro-4-fluorophenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2,6-dimethylphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-(2,2-diphenylethyl)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-(2,6-dimethylphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-(2,2-diphenylethyl)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 161497826) has the molecular formula C121H118ClF5N16O14 and a molecular weight of 2150.82 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-(2,6-dimethylphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-(2,2-diphenylethyl)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 Name2-(1-adamantylamino)-N-hydroxypyrimidine-5-carboxamide;1-[2-[2-(3-chloro-4-fluorophenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2,6-dimethylphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-(2,2-diphenylethyl)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 CID161497826
Molecular FormulaC121H118ClF5N16O14
Molecular Weight2150.82 g/mol
Exact Mass2148.86
IUPAC Name2-(1-adamantylamino)-N-hydroxypyrimidine-5-carboxamide;1-[2-[2-(3-chloro-4-fluorophenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2,6-dimethylphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-(2,2-diphenylethyl)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
SMILESCc1cccc(C)c1CCc1ncc(C(=O)CO)cn1.O=C(CO)c1cnc(CC(c2ccccc2)c2ccccc2)nc1.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
InChIInChI=1S/C21H20N2O2.2C20H18N2O2.C16H18N2O2.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)11-18(15-7-3-1-4-8-15)16-9-5-2-6-10-16;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;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;1-10,12-13,18,23H,11,14H2;1-9,12-13,23H,10-11,14H2;3-5,8-9,19H,6-7,10H2,1-2H3;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
InChIKeyWGLFFIWQOUBJTB-UHFFFAOYSA-N
XLogP18.48
TPSA465.62 Ų
H-Bond Donors9
H-Bond Acceptors29
Rotatable Bonds37
Heavy Atoms157
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002150.82
LogP ≤ 518.48
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

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

Analyze 2-(1-adamantylamino)-N-hydroxypyrimidine-5-carboxamide;1-[2-[2-(3-chloro-4-fluorophenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2,6-dimethylphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-(2,2-diphenylethyl)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 with MolForge

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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-(2,6-dimethylphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-(2,2-diphenylethyl)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-(2,6-dimethylphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-(2,2-diphenylethyl)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 161497826) is 2-(1-adamantylamino)-N-hydroxypyrimidine-5-carboxamide;1-[2-[2-(3-chloro-4-fluorophenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2,6-dimethylphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-(2,2-diphenylethyl)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-(2,6-dimethylphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-(2,2-diphenylethyl)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-(2,6-dimethylphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-(2,2-diphenylethyl)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 Cc1cccc(C)c1CCc1ncc(C(=O)CO)cn1.O=C(CO)c1cnc(CC(c2ccccc2)c2ccccc2)nc1.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-(2,6-dimethylphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-(2,2-diphenylethyl)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 WGLFFIWQOUBJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2.2C20H18N2O2.C16H18N2O2.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)11-18(15-7-3-1-4-8-15)16-9-5-2-6-10-16;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;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;1-10,12-13,18,23H,11,14H2;1-9,12-13,23H,10-11,14H2;3-5,8-9,19H,6-7,10H2,1-2H3;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-(2,6-dimethylphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-(2,2-diphenylethyl)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-(2,6-dimethylphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-(2,2-diphenylethyl)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 2150.82 g/mol, XLogP of 18.48, 37 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-(2,6-dimethylphenyl)ethyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-(2,2-diphenylethyl)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 161497826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).