sodium;2,6-dimethylaniline;2-(2,6-dimethylanilino)-N-[7-(hydroxyamino)-7-oxoheptyl]-N-methylpyrimidine-5-carboxamide;2-(2,6-dimethylanilino)pyrimidine-5-carboxylic acid;ethanol;ethyl 2-chloropyrimidine-5-carboxylate;ethyl 2-(2,6-dimethylanilino)pyrimidine-5-carboxylate;ethyl 2-oxo-1H-pyrimidine-5-carboxylate;methane;methyl 7-[[2-(2,6-dimethylanilino)pyrimidine-5-carbonyl]-methylamino]heptanoate;methyl 7-(methylamino)heptanoate;hydroxide

C105H145ClN21NaO19 — CID 159051938

About sodium;2,6-dimethylaniline;2-(2,6-dimethylanilino)-N-[7-(hydroxyamino)-7-oxoheptyl]-N-methylpyrimidine-5-carboxamide;2-(2,6-dimethylanilino)pyrimidine-5-carboxylic acid;ethanol;ethyl 2-chloropyrimidine-5-carboxylate;ethyl 2-(2,6-dimethylanilino)pyrimidine-5-carboxylate;ethyl 2-oxo-1H-pyrimidine-5-carboxylate;methane;methyl 7-[[2-(2,6-dimethylanilino)pyrimidine-5-carbonyl]-methylamino]heptanoate;methyl 7-(methylamino)heptanoate;hydroxide

sodium;2,6-dimethylaniline;2-(2,6-dimethylanilino)-N-[7-(hydroxyamino)-7-oxoheptyl]-N-methylpyrimidine-5-carboxamide;2-(2,6-dimethylanilino)pyrimidine-5-carboxylic acid;ethanol;ethyl 2-chloropyrimidine-5-carboxylate;ethyl 2-(2,6-dimethylanilino)pyrimidine-5-carboxylate;ethyl 2-oxo-1H-pyrimidine-5-carboxylate;methane;methyl 7-[[2-(2,6-dimethylanilino)pyrimidine-5-carbonyl]-methylamino]heptanoate;methyl 7-(methylamino)heptanoate;hydroxide (PubChem CID 159051938) has the molecular formula C105H145ClN21NaO19 and a molecular weight of 2063.89 g/mol. Its IUPAC name is sodium;2,6-dimethylaniline;2-(2,6-dimethylanilino)-N-[7-(hydroxyamino)-7-oxoheptyl]-N-methylpyrimidine-5-carboxamide;2-(2,6-dimethylanilino)pyrimidine-5-carboxylic acid;ethanol;ethyl 2-chloropyrimidine-5-carboxylate;ethyl 2-(2,6-dimethylanilino)pyrimidine-5-carboxylate;ethyl 2-oxo-1H-pyrimidine-5-carboxylate;methane;methyl 7-[[2-(2,6-dimethylanilino)pyrimidine-5-carbonyl]-methylamino]heptanoate;methyl 7-(methylamino)heptanoate;hydroxide.

Molecular Properties

• Compound Name: sodium;2,6-dimethylaniline;2-(2,6-dimethylanilino)-N-[7-(hydroxyamino)-7-oxoheptyl]-N-methylpyrimidine-5-carboxamide;2-(2,6-dimethylanilino)pyrimidine-5-carboxylic acid;ethanol;ethyl 2-chloropyrimidine-5-carboxylate;ethyl 2-(2,6-dimethylanilino)pyrimidine-5-carboxylate;ethyl 2-oxo-1H-pyrimidine-5-carboxylate;methane;methyl 7-[[2-(2,6-dimethylanilino)pyrimidine-5-carbonyl]-methylamino]heptanoate;methyl 7-(methylamino)heptanoate;hydroxide
• PubChem CID: 159051938
• Molecular Formula: C105H145ClN21NaO19
• Molecular Weight: 2063.89 g/mol
• Exact Mass: 2062.06
• IUPAC Name: sodium;2,6-dimethylaniline;2-(2,6-dimethylanilino)-N-[7-(hydroxyamino)-7-oxoheptyl]-N-methylpyrimidine-5-carboxamide;2-(2,6-dimethylanilino)pyrimidine-5-carboxylic acid;ethanol;ethyl 2-chloropyrimidine-5-carboxylate;ethyl 2-(2,6-dimethylanilino)pyrimidine-5-carboxylate;ethyl 2-oxo-1H-pyrimidine-5-carboxylate;methane;methyl 7-[[2-(2,6-dimethylanilino)pyrimidine-5-carbonyl]-methylamino]heptanoate;methyl 7-(methylamino)heptanoate;hydroxide
• SMILES: C.CCO.CCOC(=O)c1cnc(=O)[nH]c1.CCOC(=O)c1cnc(Cl)nc1.CCOC(=O)c1cnc(Nc2c(C)cccc2C)nc1.CNCCCCCCC(=O)OC.COC(=O)CCCCCCN(C)C(=O)c1cnc(Nc2c(C)cccc2C)nc1.Cc1cccc(C)c1N.Cc1cccc(C)c1Nc1ncc(C(=O)N(C)CCCCCCC(=O)NO)cn1.Cc1cccc(C)c1Nc1ncc(C(=O)O)cn1.[Na+].[OH-]
• InChI: InChI=1S/C22H30N4O3.C21H29N5O3.C15H17N3O2.C13H13N3O2.C9H19NO2.C8H11N.C7H7ClN2O2.C7H8N2O3.C2H6O.CH4.Na.H2O/c1-16-10-9-11-17(2)20(16)25-22-23-14-18(15-24-22)21(28)26(3)13-8-6-5-7-12-19(27)29-4;1-15-9-8-10-16(2)19(15)24-21-22-13-17(14-23-21)20(28)26(3)12-7-5-4-6-11-18(27)25-29;1-4-20-14(19)12-8-16-15(17-9-12)18-13-10(2)6-5-7-11(13)3;1-8-4-3-5-9(2)11(8)16-13-14-6-10(7-15-13)12(17)18;1-10-8-6-4-3-5-7-9(11)12-2;1-6-4-3-5-7(2)8(6)9;1-2-12-6(11)5-3-9-7(8)10-4-5;1-2-12-6(10)5-3-8-7(11)9-4-5;1-2-3;;;/h9-11,14-15H,5-8,12-13H2,1-4H3,(H,23,24,25);8-10,13-14,29H,4-7,11-12H2,1-3H3,(H,25,27)(H,22,23,24);5-9H,4H2,1-3H3,(H,16,17,18);3-7H,1-2H3,(H,17,18)(H,14,15,16);10H,3-8H2,1-2H3;3-5H,9H2,1-2H3;3-4H,2H2,1H3;3-4H,2H2,1H3,(H,8,9,11);3H,2H2,1H3;1H4;;1H2/q;;;;;;;;;;+1;/p-1
• InChIKey: JXJHTPCKLGCGMJ-UHFFFAOYSA-M
• XLogP: 14.88
• TPSA: 569.80 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 35
• Rotatable Bonds: 38
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2063.89
LogP ≤ 5	14.88
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'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 sodium;2,6-dimethylaniline;2-(2,6-dimethylanilino)-N-[7-(hydroxyamino)-7-oxoheptyl]-N-methylpyrimidine-5-carboxamide;2-(2,6-dimethylanilino)pyrimidine-5-carboxylic acid;ethanol;ethyl 2-chloropyrimidine-5-carboxylate;ethyl 2-(2,6-dimethylanilino)pyrimidine-5-carboxylate;ethyl 2-oxo-1H-pyrimidine-5-carboxylate;methane;methyl 7-[[2-(2,6-dimethylanilino)pyrimidine-5-carbonyl]-methylamino]heptanoate;methyl 7-(methylamino)heptanoate;hydroxide?

The IUPAC name of sodium;2,6-dimethylaniline;2-(2,6-dimethylanilino)-N-[7-(hydroxyamino)-7-oxoheptyl]-N-methylpyrimidine-5-carboxamide;2-(2,6-dimethylanilino)pyrimidine-5-carboxylic acid;ethanol;ethyl 2-chloropyrimidine-5-carboxylate;ethyl 2-(2,6-dimethylanilino)pyrimidine-5-carboxylate;ethyl 2-oxo-1H-pyrimidine-5-carboxylate;methane;methyl 7-[[2-(2,6-dimethylanilino)pyrimidine-5-carbonyl]-methylamino]heptanoate;methyl 7-(methylamino)heptanoate;hydroxide (CID 159051938) is sodium;2,6-dimethylaniline;2-(2,6-dimethylanilino)-N-[7-(hydroxyamino)-7-oxoheptyl]-N-methylpyrimidine-5-carboxamide;2-(2,6-dimethylanilino)pyrimidine-5-carboxylic acid;ethanol;ethyl 2-chloropyrimidine-5-carboxylate;ethyl 2-(2,6-dimethylanilino)pyrimidine-5-carboxylate;ethyl 2-oxo-1H-pyrimidine-5-carboxylate;methane;methyl 7-[[2-(2,6-dimethylanilino)pyrimidine-5-carbonyl]-methylamino]heptanoate;methyl 7-(methylamino)heptanoate;hydroxide.

What is the SMILES notation for sodium;2,6-dimethylaniline;2-(2,6-dimethylanilino)-N-[7-(hydroxyamino)-7-oxoheptyl]-N-methylpyrimidine-5-carboxamide;2-(2,6-dimethylanilino)pyrimidine-5-carboxylic acid;ethanol;ethyl 2-chloropyrimidine-5-carboxylate;ethyl 2-(2,6-dimethylanilino)pyrimidine-5-carboxylate;ethyl 2-oxo-1H-pyrimidine-5-carboxylate;methane;methyl 7-[[2-(2,6-dimethylanilino)pyrimidine-5-carbonyl]-methylamino]heptanoate;methyl 7-(methylamino)heptanoate;hydroxide?

The canonical SMILES for sodium;2,6-dimethylaniline;2-(2,6-dimethylanilino)-N-[7-(hydroxyamino)-7-oxoheptyl]-N-methylpyrimidine-5-carboxamide;2-(2,6-dimethylanilino)pyrimidine-5-carboxylic acid;ethanol;ethyl 2-chloropyrimidine-5-carboxylate;ethyl 2-(2,6-dimethylanilino)pyrimidine-5-carboxylate;ethyl 2-oxo-1H-pyrimidine-5-carboxylate;methane;methyl 7-[[2-(2,6-dimethylanilino)pyrimidine-5-carbonyl]-methylamino]heptanoate;methyl 7-(methylamino)heptanoate;hydroxide is C.CCO.CCOC(=O)c1cnc(=O)[nH]c1.CCOC(=O)c1cnc(Cl)nc1.CCOC(=O)c1cnc(Nc2c(C)cccc2C)nc1.CNCCCCCCC(=O)OC.COC(=O)CCCCCCN(C)C(=O)c1cnc(Nc2c(C)cccc2C)nc1.Cc1cccc(C)c1N.Cc1cccc(C)c1Nc1ncc(C(=O)N(C)CCCCCCC(=O)NO)cn1.Cc1cccc(C)c1Nc1ncc(C(=O)O)cn1.[Na+].[OH-].

What is the InChIKey of sodium;2,6-dimethylaniline;2-(2,6-dimethylanilino)-N-[7-(hydroxyamino)-7-oxoheptyl]-N-methylpyrimidine-5-carboxamide;2-(2,6-dimethylanilino)pyrimidine-5-carboxylic acid;ethanol;ethyl 2-chloropyrimidine-5-carboxylate;ethyl 2-(2,6-dimethylanilino)pyrimidine-5-carboxylate;ethyl 2-oxo-1H-pyrimidine-5-carboxylate;methane;methyl 7-[[2-(2,6-dimethylanilino)pyrimidine-5-carbonyl]-methylamino]heptanoate;methyl 7-(methylamino)heptanoate;hydroxide?

The InChIKey is JXJHTPCKLGCGMJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H30N4O3.C21H29N5O3.C15H17N3O2.C13H13N3O2.C9H19NO2.C8H11N.C7H7ClN2O2.C7H8N2O3.C2H6O.CH4.Na.H2O/c1-16-10-9-11-17(2)20(16)25-22-23-14-18(15-24-22)21(28)26(3)13-8-6-5-7-12-19(27)29-4;1-15-9-8-10-16(2)19(15)24-21-22-13-17(14-23-21)20(28)26(3)12-7-5-4-6-11-18(27)25-29;1-4-20-14(19)12-8-16-15(17-9-12)18-13-10(2)6-5-7-11(13)3;1-8-4-3-5-9(2)11(8)16-13-14-6-10(7-15-13)12(17)18;1-10-8-6-4-3-5-7-9(11)12-2;1-6-4-3-5-7(2)8(6)9;1-2-12-6(11)5-3-9-7(8)10-4-5;1-2-12-6(10)5-3-8-7(11)9-4-5;1-2-3;;;/h9-11,14-15H,5-8,12-13H2,1-4H3,(H,23,24,25);8-10,13-14,29H,4-7,11-12H2,1-3H3,(H,25,27)(H,22,23,24);5-9H,4H2,1-3H3,(H,16,17,18);3-7H,1-2H3,(H,17,18)(H,14,15,16);10H,3-8H2,1-2H3;3-5H,9H2,1-2H3;3-4H,2H2,1H3;3-4H,2H2,1H3,(H,8,9,11);3H,2H2,1H3;1H4;;1H2/q;;;;;;;;;;+1;/p-1.

What are the key properties of sodium;2,6-dimethylaniline;2-(2,6-dimethylanilino)-N-[7-(hydroxyamino)-7-oxoheptyl]-N-methylpyrimidine-5-carboxamide;2-(2,6-dimethylanilino)pyrimidine-5-carboxylic acid;ethanol;ethyl 2-chloropyrimidine-5-carboxylate;ethyl 2-(2,6-dimethylanilino)pyrimidine-5-carboxylate;ethyl 2-oxo-1H-pyrimidine-5-carboxylate;methane;methyl 7-[[2-(2,6-dimethylanilino)pyrimidine-5-carbonyl]-methylamino]heptanoate;methyl 7-(methylamino)heptanoate;hydroxide?

sodium;2,6-dimethylaniline;2-(2,6-dimethylanilino)-N-[7-(hydroxyamino)-7-oxoheptyl]-N-methylpyrimidine-5-carboxamide;2-(2,6-dimethylanilino)pyrimidine-5-carboxylic acid;ethanol;ethyl 2-chloropyrimidine-5-carboxylate;ethyl 2-(2,6-dimethylanilino)pyrimidine-5-carboxylate;ethyl 2-oxo-1H-pyrimidine-5-carboxylate;methane;methyl 7-[[2-(2,6-dimethylanilino)pyrimidine-5-carbonyl]-methylamino]heptanoate;methyl 7-(methylamino)heptanoate;hydroxide has a molecular weight of 2063.89 g/mol, XLogP of 14.88, 38 rotatable bonds, 11 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;2,6-dimethylaniline;2-(2,6-dimethylanilino)-N-[7-(hydroxyamino)-7-oxoheptyl]-N-methylpyrimidine-5-carboxamide;2-(2,6-dimethylanilino)pyrimidine-5-carboxylic acid;ethanol;ethyl 2-chloropyrimidine-5-carboxylate;ethyl 2-(2,6-dimethylanilino)pyrimidine-5-carboxylate;ethyl 2-oxo-1H-pyrimidine-5-carboxylate;methane;methyl 7-[[2-(2,6-dimethylanilino)pyrimidine-5-carbonyl]-methylamino]heptanoate;methyl 7-(methylamino)heptanoate;hydroxide is sourced from PubChem (CID 159051938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).