sodium;2-[3-[(2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonyl)amino]phenyl]acetic acid;2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxylic acid;(2,5-dioxopyrrolidin-1-yl) 2-[3-[(2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonyl)amino]phenyl]acetate;1-hydroxypyrrolidine-2,5-dione;methyl 2-(3-aminophenyl)acetate;methyl 2-[3-[(2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonyl)amino]phenyl]acetate;hydroxide

C82H83N14NaO19 — CID 159395115

About sodium;2-[3-[(2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonyl)amino]phenyl]acetic acid;2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxylic acid;(2,5-dioxopyrrolidin-1-yl) 2-[3-[(2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonyl)amino]phenyl]acetate;1-hydroxypyrrolidine-2,5-dione;methyl 2-(3-aminophenyl)acetate;methyl 2-[3-[(2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonyl)amino]phenyl]acetate;hydroxide

sodium;2-[3-[(2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonyl)amino]phenyl]acetic acid;2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxylic acid;(2,5-dioxopyrrolidin-1-yl) 2-[3-[(2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonyl)amino]phenyl]acetate;1-hydroxypyrrolidine-2,5-dione;methyl 2-(3-aminophenyl)acetate;methyl 2-[3-[(2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonyl)amino]phenyl]acetate;hydroxide (PubChem CID 159395115) has the molecular formula C82H83N14NaO19 and a molecular weight of 1591.63 g/mol. Its IUPAC name is sodium;2-[3-[(2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonyl)amino]phenyl]acetic acid;2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxylic acid;(2,5-dioxopyrrolidin-1-yl) 2-[3-[(2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonyl)amino]phenyl]acetate;1-hydroxypyrrolidine-2,5-dione;methyl 2-(3-aminophenyl)acetate;methyl 2-[3-[(2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonyl)amino]phenyl]acetate;hydroxide.

Molecular Properties

• Compound Name: sodium;2-[3-[(2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonyl)amino]phenyl]acetic acid;2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxylic acid;(2,5-dioxopyrrolidin-1-yl) 2-[3-[(2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonyl)amino]phenyl]acetate;1-hydroxypyrrolidine-2,5-dione;methyl 2-(3-aminophenyl)acetate;methyl 2-[3-[(2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonyl)amino]phenyl]acetate;hydroxide
• PubChem CID: 159395115
• Molecular Formula: C82H83N14NaO19
• Molecular Weight: 1591.63 g/mol
• Exact Mass: 1590.59
• IUPAC Name: sodium;2-[3-[(2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonyl)amino]phenyl]acetic acid;2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxylic acid;(2,5-dioxopyrrolidin-1-yl) 2-[3-[(2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonyl)amino]phenyl]acetate;1-hydroxypyrrolidine-2,5-dione;methyl 2-(3-aminophenyl)acetate;methyl 2-[3-[(2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonyl)amino]phenyl]acetate;hydroxide
• SMILES: COC(=O)Cc1cccc(N)c1.COC(=O)Cc1cccc(NC(=O)c2ccn3c(C)cc(C)nc23)c1.Cc1cc(C)n2ccc(C(=O)Nc3cccc(CC(=O)O)c3)c2n1.Cc1cc(C)n2ccc(C(=O)Nc3cccc(CC(=O)ON4C(=O)CCC4=O)c3)c2n1.Cc1cc(C)n2ccc(C(=O)O)c2n1.O=C1CCC(=O)N1O.[Na+].[OH-]
• InChI: InChI=1S/C22H20N4O5.C19H19N3O3.C18H17N3O3.C10H10N2O2.C9H11NO2.C4H5NO3.Na.H2O/c1-13-10-14(2)25-9-8-17(21(25)23-13)22(30)24-16-5-3-4-15(11-16)12-20(29)31-26-18(27)6-7-19(26)28;1-12-9-13(2)22-8-7-16(18(22)20-12)19(24)21-15-6-4-5-14(10-15)11-17(23)25-3;1-11-8-12(2)21-7-6-15(17(21)19-11)18(24)20-14-5-3-4-13(9-14)10-16(22)23;1-6-5-7(2)12-4-3-8(10(13)14)9(12)11-6;1-12-9(11)6-7-3-2-4-8(10)5-7;6-3-1-2-4(7)5(3)8;;/h3-5,8-11H,6-7,12H2,1-2H3,(H,24,30);4-10H,11H2,1-3H3,(H,21,24);3-9H,10H2,1-2H3,(H,20,24)(H,22,23);3-5H,1-2H3,(H,13,14);2-5H,6,10H2,1H3;8H,1-2H2;;1H2/q;;;;;;+1;/p-1
• InChIKey: LMPNHMKTVVGJHS-UHFFFAOYSA-M
• XLogP: 7.09
• TPSA: 461.01 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 26
• Rotatable Bonds: 16
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1591.63
LogP ≤ 5	7.09
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;2-[3-[(2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonyl)amino]phenyl]acetic acid;2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxylic acid;(2,5-dioxopyrrolidin-1-yl) 2-[3-[(2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonyl)amino]phenyl]acetate;1-hydroxypyrrolidine-2,5-dione;methyl 2-(3-aminophenyl)acetate;methyl 2-[3-[(2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonyl)amino]phenyl]acetate;hydroxide?

The IUPAC name of sodium;2-[3-[(2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonyl)amino]phenyl]acetic acid;2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxylic acid;(2,5-dioxopyrrolidin-1-yl) 2-[3-[(2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonyl)amino]phenyl]acetate;1-hydroxypyrrolidine-2,5-dione;methyl 2-(3-aminophenyl)acetate;methyl 2-[3-[(2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonyl)amino]phenyl]acetate;hydroxide (CID 159395115) is sodium;2-[3-[(2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonyl)amino]phenyl]acetic acid;2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxylic acid;(2,5-dioxopyrrolidin-1-yl) 2-[3-[(2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonyl)amino]phenyl]acetate;1-hydroxypyrrolidine-2,5-dione;methyl 2-(3-aminophenyl)acetate;methyl 2-[3-[(2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonyl)amino]phenyl]acetate;hydroxide.

What is the SMILES notation for sodium;2-[3-[(2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonyl)amino]phenyl]acetic acid;2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxylic acid;(2,5-dioxopyrrolidin-1-yl) 2-[3-[(2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonyl)amino]phenyl]acetate;1-hydroxypyrrolidine-2,5-dione;methyl 2-(3-aminophenyl)acetate;methyl 2-[3-[(2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonyl)amino]phenyl]acetate;hydroxide?

The canonical SMILES for sodium;2-[3-[(2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonyl)amino]phenyl]acetic acid;2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxylic acid;(2,5-dioxopyrrolidin-1-yl) 2-[3-[(2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonyl)amino]phenyl]acetate;1-hydroxypyrrolidine-2,5-dione;methyl 2-(3-aminophenyl)acetate;methyl 2-[3-[(2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonyl)amino]phenyl]acetate;hydroxide is COC(=O)Cc1cccc(N)c1.COC(=O)Cc1cccc(NC(=O)c2ccn3c(C)cc(C)nc23)c1.Cc1cc(C)n2ccc(C(=O)Nc3cccc(CC(=O)O)c3)c2n1.Cc1cc(C)n2ccc(C(=O)Nc3cccc(CC(=O)ON4C(=O)CCC4=O)c3)c2n1.Cc1cc(C)n2ccc(C(=O)O)c2n1.O=C1CCC(=O)N1O.[Na+].[OH-].

What is the InChIKey of sodium;2-[3-[(2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonyl)amino]phenyl]acetic acid;2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxylic acid;(2,5-dioxopyrrolidin-1-yl) 2-[3-[(2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonyl)amino]phenyl]acetate;1-hydroxypyrrolidine-2,5-dione;methyl 2-(3-aminophenyl)acetate;methyl 2-[3-[(2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonyl)amino]phenyl]acetate;hydroxide?

The InChIKey is LMPNHMKTVVGJHS-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H20N4O5.C19H19N3O3.C18H17N3O3.C10H10N2O2.C9H11NO2.C4H5NO3.Na.H2O/c1-13-10-14(2)25-9-8-17(21(25)23-13)22(30)24-16-5-3-4-15(11-16)12-20(29)31-26-18(27)6-7-19(26)28;1-12-9-13(2)22-8-7-16(18(22)20-12)19(24)21-15-6-4-5-14(10-15)11-17(23)25-3;1-11-8-12(2)21-7-6-15(17(21)19-11)18(24)20-14-5-3-4-13(9-14)10-16(22)23;1-6-5-7(2)12-4-3-8(10(13)14)9(12)11-6;1-12-9(11)6-7-3-2-4-8(10)5-7;6-3-1-2-4(7)5(3)8;;/h3-5,8-11H,6-7,12H2,1-2H3,(H,24,30);4-10H,11H2,1-3H3,(H,21,24);3-9H,10H2,1-2H3,(H,20,24)(H,22,23);3-5H,1-2H3,(H,13,14);2-5H,6,10H2,1H3;8H,1-2H2;;1H2/q;;;;;;+1;/p-1.

What are the key properties of sodium;2-[3-[(2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonyl)amino]phenyl]acetic acid;2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxylic acid;(2,5-dioxopyrrolidin-1-yl) 2-[3-[(2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonyl)amino]phenyl]acetate;1-hydroxypyrrolidine-2,5-dione;methyl 2-(3-aminophenyl)acetate;methyl 2-[3-[(2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonyl)amino]phenyl]acetate;hydroxide?

sodium;2-[3-[(2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonyl)amino]phenyl]acetic acid;2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxylic acid;(2,5-dioxopyrrolidin-1-yl) 2-[3-[(2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonyl)amino]phenyl]acetate;1-hydroxypyrrolidine-2,5-dione;methyl 2-(3-aminophenyl)acetate;methyl 2-[3-[(2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonyl)amino]phenyl]acetate;hydroxide has a molecular weight of 1591.63 g/mol, XLogP of 7.09, 16 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;2-[3-[(2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonyl)amino]phenyl]acetic acid;2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxylic acid;(2,5-dioxopyrrolidin-1-yl) 2-[3-[(2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonyl)amino]phenyl]acetate;1-hydroxypyrrolidine-2,5-dione;methyl 2-(3-aminophenyl)acetate;methyl 2-[3-[(2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonyl)amino]phenyl]acetate;hydroxide is sourced from PubChem (CID 159395115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).