N-(2-aminophenyl)-4-[[(2-morpholin-4-ylpyrimidin-4-yl)amino]methyl]benzamide;N-(2-aminophenyl)-4-[[(2-pyridin-3-ylpyrimidin-4-yl)amino]methyl]benzamide;2,4-dichloropyrimidine;3-(4,6-dipyridin-3-yl-1,3,5,2,4,6-trioxatriborinan-2-yl)pyridine;methyl 4-(aminomethyl)benzoate;methyl 4-[[(2-chloropyrimidin-4-yl)amino]methyl]benzoate;methyl 4-[[(4-chloropyrimidin-2-yl)amino]methyl]benzoate;methyl 4-[[(2-morpholin-4-ylpyrimidin-4-yl)amino]methyl]benzoate;methyl 4-[[(2-pyridin-3-ylpyrimidin-4-yl)amino]methyl]benzoate

C134H129B3Cl4N32O17 — CID 158248104

About N-(2-aminophenyl)-4-[[(2-morpholin-4-ylpyrimidin-4-yl)amino]methyl]benzamide;N-(2-aminophenyl)-4-[[(2-pyridin-3-ylpyrimidin-4-yl)amino]methyl]benzamide;2,4-dichloropyrimidine;3-(4,6-dipyridin-3-yl-1,3,5,2,4,6-trioxatriborinan-2-yl)pyridine;methyl 4-(aminomethyl)benzoate;methyl 4-[[(2-chloropyrimidin-4-yl)amino]methyl]benzoate;methyl 4-[[(4-chloropyrimidin-2-yl)amino]methyl]benzoate;methyl 4-[[(2-morpholin-4-ylpyrimidin-4-yl)amino]methyl]benzoate;methyl 4-[[(2-pyridin-3-ylpyrimidin-4-yl)amino]methyl]benzoate

N-(2-aminophenyl)-4-[[(2-morpholin-4-ylpyrimidin-4-yl)amino]methyl]benzamide;N-(2-aminophenyl)-4-[[(2-pyridin-3-ylpyrimidin-4-yl)amino]methyl]benzamide;2,4-dichloropyrimidine;3-(4,6-dipyridin-3-yl-1,3,5,2,4,6-trioxatriborinan-2-yl)pyridine;methyl 4-(aminomethyl)benzoate;methyl 4-[[(2-chloropyrimidin-4-yl)amino]methyl]benzoate;methyl 4-[[(4-chloropyrimidin-2-yl)amino]methyl]benzoate;methyl 4-[[(2-morpholin-4-ylpyrimidin-4-yl)amino]methyl]benzoate;methyl 4-[[(2-pyridin-3-ylpyrimidin-4-yl)amino]methyl]benzoate (PubChem CID 158248104) has the molecular formula C134H129B3Cl4N32O17 and a molecular weight of 2633.96 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[[(2-morpholin-4-ylpyrimidin-4-yl)amino]methyl]benzamide;N-(2-aminophenyl)-4-[[(2-pyridin-3-ylpyrimidin-4-yl)amino]methyl]benzamide;2,4-dichloropyrimidine;3-(4,6-dipyridin-3-yl-1,3,5,2,4,6-trioxatriborinan-2-yl)pyridine;methyl 4-(aminomethyl)benzoate;methyl 4-[[(2-chloropyrimidin-4-yl)amino]methyl]benzoate;methyl 4-[[(4-chloropyrimidin-2-yl)amino]methyl]benzoate;methyl 4-[[(2-morpholin-4-ylpyrimidin-4-yl)amino]methyl]benzoate;methyl 4-[[(2-pyridin-3-ylpyrimidin-4-yl)amino]methyl]benzoate.

Molecular Properties

• Compound Name: N-(2-aminophenyl)-4-[[(2-morpholin-4-ylpyrimidin-4-yl)amino]methyl]benzamide;N-(2-aminophenyl)-4-[[(2-pyridin-3-ylpyrimidin-4-yl)amino]methyl]benzamide;2,4-dichloropyrimidine;3-(4,6-dipyridin-3-yl-1,3,5,2,4,6-trioxatriborinan-2-yl)pyridine;methyl 4-(aminomethyl)benzoate;methyl 4-[[(2-chloropyrimidin-4-yl)amino]methyl]benzoate;methyl 4-[[(4-chloropyrimidin-2-yl)amino]methyl]benzoate;methyl 4-[[(2-morpholin-4-ylpyrimidin-4-yl)amino]methyl]benzoate;methyl 4-[[(2-pyridin-3-ylpyrimidin-4-yl)amino]methyl]benzoate
• PubChem CID: 158248104
• Molecular Formula: C134H129B3Cl4N32O17
• Molecular Weight: 2633.96 g/mol
• Exact Mass: 2630.92
• IUPAC Name: N-(2-aminophenyl)-4-[[(2-morpholin-4-ylpyrimidin-4-yl)amino]methyl]benzamide;N-(2-aminophenyl)-4-[[(2-pyridin-3-ylpyrimidin-4-yl)amino]methyl]benzamide;2,4-dichloropyrimidine;3-(4,6-dipyridin-3-yl-1,3,5,2,4,6-trioxatriborinan-2-yl)pyridine;methyl 4-(aminomethyl)benzoate;methyl 4-[[(2-chloropyrimidin-4-yl)amino]methyl]benzoate;methyl 4-[[(4-chloropyrimidin-2-yl)amino]methyl]benzoate;methyl 4-[[(2-morpholin-4-ylpyrimidin-4-yl)amino]methyl]benzoate;methyl 4-[[(2-pyridin-3-ylpyrimidin-4-yl)amino]methyl]benzoate
• SMILES: COC(=O)c1ccc(CN)cc1.COC(=O)c1ccc(CNc2ccnc(-c3cccnc3)n2)cc1.COC(=O)c1ccc(CNc2ccnc(Cl)n2)cc1.COC(=O)c1ccc(CNc2ccnc(N3CCOCC3)n2)cc1.COC(=O)c1ccc(CNc2nccc(Cl)n2)cc1.Clc1ccnc(Cl)n1.Nc1ccccc1NC(=O)c1ccc(CNc2ccnc(-c3cccnc3)n2)cc1.Nc1ccccc1NC(=O)c1ccc(CNc2ccnc(N3CCOCC3)n2)cc1.c1cncc(B2OB(c3cccnc3)OB(c3cccnc3)O2)c1
• InChI: InChI=1S/C23H20N6O.C22H24N6O2.C18H16N4O2.C17H20N4O3.C15H12B3N3O3.2C13H12ClN3O2.C9H11NO2.C4H2Cl2N2/c24-19-5-1-2-6-20(19)28-23(30)17-9-7-16(8-10-17)14-27-21-11-13-26-22(29-21)18-4-3-12-25-15-18;23-18-3-1-2-4-19(18)26-21(29)17-7-5-16(6-8-17)15-25-20-9-10-24-22(27-20)28-11-13-30-14-12-28;1-24-18(23)14-6-4-13(5-7-14)11-21-16-8-10-20-17(22-16)15-3-2-9-19-12-15;1-23-16(22)14-4-2-13(3-5-14)12-19-15-6-7-18-17(20-15)21-8-10-24-11-9-21;1-4-13(10-19-7-1)16-22-17(14-5-2-8-20-11-14)24-18(23-16)15-6-3-9-21-12-15;1-19-12(18)10-4-2-9(3-5-10)8-16-11-6-7-15-13(14)17-11;1-19-12(18)10-4-2-9(3-5-10)8-16-13-15-7-6-11(14)17-13;1-12-9(11)8-4-2-7(6-10)3-5-8;5-3-1-2-7-4(6)8-3/h1-13,15H,14,24H2,(H,28,30)(H,26,27,29);1-10H,11-15,23H2,(H,26,29)(H,24,25,27);2-10,12H,11H2,1H3,(H,20,21,22);2-7H,8-12H2,1H3,(H,18,19,20);1-12H;2*2-7H,8H2,1H3,(H,15,16,17);2-5H,6,10H2,1H3;1-2H
• InChIKey: GGJKNSSANUBXNM-UHFFFAOYSA-N
• XLogP: 18.59
• TPSA: 637.48 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 47
• Rotatable Bonds: 35
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2633.96
LogP ≤ 5	18.59
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[[(2-morpholin-4-ylpyrimidin-4-yl)amino]methyl]benzamide;N-(2-aminophenyl)-4-[[(2-pyridin-3-ylpyrimidin-4-yl)amino]methyl]benzamide;2,4-dichloropyrimidine;3-(4,6-dipyridin-3-yl-1,3,5,2,4,6-trioxatriborinan-2-yl)pyridine;methyl 4-(aminomethyl)benzoate;methyl 4-[[(2-chloropyrimidin-4-yl)amino]methyl]benzoate;methyl 4-[[(4-chloropyrimidin-2-yl)amino]methyl]benzoate;methyl 4-[[(2-morpholin-4-ylpyrimidin-4-yl)amino]methyl]benzoate;methyl 4-[[(2-pyridin-3-ylpyrimidin-4-yl)amino]methyl]benzoate?

The IUPAC name of N-(2-aminophenyl)-4-[[(2-morpholin-4-ylpyrimidin-4-yl)amino]methyl]benzamide;N-(2-aminophenyl)-4-[[(2-pyridin-3-ylpyrimidin-4-yl)amino]methyl]benzamide;2,4-dichloropyrimidine;3-(4,6-dipyridin-3-yl-1,3,5,2,4,6-trioxatriborinan-2-yl)pyridine;methyl 4-(aminomethyl)benzoate;methyl 4-[[(2-chloropyrimidin-4-yl)amino]methyl]benzoate;methyl 4-[[(4-chloropyrimidin-2-yl)amino]methyl]benzoate;methyl 4-[[(2-morpholin-4-ylpyrimidin-4-yl)amino]methyl]benzoate;methyl 4-[[(2-pyridin-3-ylpyrimidin-4-yl)amino]methyl]benzoate (CID 158248104) is N-(2-aminophenyl)-4-[[(2-morpholin-4-ylpyrimidin-4-yl)amino]methyl]benzamide;N-(2-aminophenyl)-4-[[(2-pyridin-3-ylpyrimidin-4-yl)amino]methyl]benzamide;2,4-dichloropyrimidine;3-(4,6-dipyridin-3-yl-1,3,5,2,4,6-trioxatriborinan-2-yl)pyridine;methyl 4-(aminomethyl)benzoate;methyl 4-[[(2-chloropyrimidin-4-yl)amino]methyl]benzoate;methyl 4-[[(4-chloropyrimidin-2-yl)amino]methyl]benzoate;methyl 4-[[(2-morpholin-4-ylpyrimidin-4-yl)amino]methyl]benzoate;methyl 4-[[(2-pyridin-3-ylpyrimidin-4-yl)amino]methyl]benzoate.

What is the SMILES notation for N-(2-aminophenyl)-4-[[(2-morpholin-4-ylpyrimidin-4-yl)amino]methyl]benzamide;N-(2-aminophenyl)-4-[[(2-pyridin-3-ylpyrimidin-4-yl)amino]methyl]benzamide;2,4-dichloropyrimidine;3-(4,6-dipyridin-3-yl-1,3,5,2,4,6-trioxatriborinan-2-yl)pyridine;methyl 4-(aminomethyl)benzoate;methyl 4-[[(2-chloropyrimidin-4-yl)amino]methyl]benzoate;methyl 4-[[(4-chloropyrimidin-2-yl)amino]methyl]benzoate;methyl 4-[[(2-morpholin-4-ylpyrimidin-4-yl)amino]methyl]benzoate;methyl 4-[[(2-pyridin-3-ylpyrimidin-4-yl)amino]methyl]benzoate?

The canonical SMILES for N-(2-aminophenyl)-4-[[(2-morpholin-4-ylpyrimidin-4-yl)amino]methyl]benzamide;N-(2-aminophenyl)-4-[[(2-pyridin-3-ylpyrimidin-4-yl)amino]methyl]benzamide;2,4-dichloropyrimidine;3-(4,6-dipyridin-3-yl-1,3,5,2,4,6-trioxatriborinan-2-yl)pyridine;methyl 4-(aminomethyl)benzoate;methyl 4-[[(2-chloropyrimidin-4-yl)amino]methyl]benzoate;methyl 4-[[(4-chloropyrimidin-2-yl)amino]methyl]benzoate;methyl 4-[[(2-morpholin-4-ylpyrimidin-4-yl)amino]methyl]benzoate;methyl 4-[[(2-pyridin-3-ylpyrimidin-4-yl)amino]methyl]benzoate is COC(=O)c1ccc(CN)cc1.COC(=O)c1ccc(CNc2ccnc(-c3cccnc3)n2)cc1.COC(=O)c1ccc(CNc2ccnc(Cl)n2)cc1.COC(=O)c1ccc(CNc2ccnc(N3CCOCC3)n2)cc1.COC(=O)c1ccc(CNc2nccc(Cl)n2)cc1.Clc1ccnc(Cl)n1.Nc1ccccc1NC(=O)c1ccc(CNc2ccnc(-c3cccnc3)n2)cc1.Nc1ccccc1NC(=O)c1ccc(CNc2ccnc(N3CCOCC3)n2)cc1.c1cncc(B2OB(c3cccnc3)OB(c3cccnc3)O2)c1.

What is the InChIKey of N-(2-aminophenyl)-4-[[(2-morpholin-4-ylpyrimidin-4-yl)amino]methyl]benzamide;N-(2-aminophenyl)-4-[[(2-pyridin-3-ylpyrimidin-4-yl)amino]methyl]benzamide;2,4-dichloropyrimidine;3-(4,6-dipyridin-3-yl-1,3,5,2,4,6-trioxatriborinan-2-yl)pyridine;methyl 4-(aminomethyl)benzoate;methyl 4-[[(2-chloropyrimidin-4-yl)amino]methyl]benzoate;methyl 4-[[(4-chloropyrimidin-2-yl)amino]methyl]benzoate;methyl 4-[[(2-morpholin-4-ylpyrimidin-4-yl)amino]methyl]benzoate;methyl 4-[[(2-pyridin-3-ylpyrimidin-4-yl)amino]methyl]benzoate?

The InChIKey is GGJKNSSANUBXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O.C22H24N6O2.C18H16N4O2.C17H20N4O3.C15H12B3N3O3.2C13H12ClN3O2.C9H11NO2.C4H2Cl2N2/c24-19-5-1-2-6-20(19)28-23(30)17-9-7-16(8-10-17)14-27-21-11-13-26-22(29-21)18-4-3-12-25-15-18;23-18-3-1-2-4-19(18)26-21(29)17-7-5-16(6-8-17)15-25-20-9-10-24-22(27-20)28-11-13-30-14-12-28;1-24-18(23)14-6-4-13(5-7-14)11-21-16-8-10-20-17(22-16)15-3-2-9-19-12-15;1-23-16(22)14-4-2-13(3-5-14)12-19-15-6-7-18-17(20-15)21-8-10-24-11-9-21;1-4-13(10-19-7-1)16-22-17(14-5-2-8-20-11-14)24-18(23-16)15-6-3-9-21-12-15;1-19-12(18)10-4-2-9(3-5-10)8-16-11-6-7-15-13(14)17-11;1-19-12(18)10-4-2-9(3-5-10)8-16-13-15-7-6-11(14)17-13;1-12-9(11)8-4-2-7(6-10)3-5-8;5-3-1-2-7-4(6)8-3/h1-13,15H,14,24H2,(H,28,30)(H,26,27,29);1-10H,11-15,23H2,(H,26,29)(H,24,25,27);2-10,12H,11H2,1H3,(H,20,21,22);2-7H,8-12H2,1H3,(H,18,19,20);1-12H;2*2-7H,8H2,1H3,(H,15,16,17);2-5H,6,10H2,1H3;1-2H.

What are the key properties of N-(2-aminophenyl)-4-[[(2-morpholin-4-ylpyrimidin-4-yl)amino]methyl]benzamide;N-(2-aminophenyl)-4-[[(2-pyridin-3-ylpyrimidin-4-yl)amino]methyl]benzamide;2,4-dichloropyrimidine;3-(4,6-dipyridin-3-yl-1,3,5,2,4,6-trioxatriborinan-2-yl)pyridine;methyl 4-(aminomethyl)benzoate;methyl 4-[[(2-chloropyrimidin-4-yl)amino]methyl]benzoate;methyl 4-[[(4-chloropyrimidin-2-yl)amino]methyl]benzoate;methyl 4-[[(2-morpholin-4-ylpyrimidin-4-yl)amino]methyl]benzoate;methyl 4-[[(2-pyridin-3-ylpyrimidin-4-yl)amino]methyl]benzoate?

N-(2-aminophenyl)-4-[[(2-morpholin-4-ylpyrimidin-4-yl)amino]methyl]benzamide;N-(2-aminophenyl)-4-[[(2-pyridin-3-ylpyrimidin-4-yl)amino]methyl]benzamide;2,4-dichloropyrimidine;3-(4,6-dipyridin-3-yl-1,3,5,2,4,6-trioxatriborinan-2-yl)pyridine;methyl 4-(aminomethyl)benzoate;methyl 4-[[(2-chloropyrimidin-4-yl)amino]methyl]benzoate;methyl 4-[[(4-chloropyrimidin-2-yl)amino]methyl]benzoate;methyl 4-[[(2-morpholin-4-ylpyrimidin-4-yl)amino]methyl]benzoate;methyl 4-[[(2-pyridin-3-ylpyrimidin-4-yl)amino]methyl]benzoate has a molecular weight of 2633.96 g/mol, XLogP of 18.59, 35 rotatable bonds, 11 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-aminophenyl)-4-[[(2-morpholin-4-ylpyrimidin-4-yl)amino]methyl]benzamide;N-(2-aminophenyl)-4-[[(2-pyridin-3-ylpyrimidin-4-yl)amino]methyl]benzamide;2,4-dichloropyrimidine;3-(4,6-dipyridin-3-yl-1,3,5,2,4,6-trioxatriborinan-2-yl)pyridine;methyl 4-(aminomethyl)benzoate;methyl 4-[[(2-chloropyrimidin-4-yl)amino]methyl]benzoate;methyl 4-[[(4-chloropyrimidin-2-yl)amino]methyl]benzoate;methyl 4-[[(2-morpholin-4-ylpyrimidin-4-yl)amino]methyl]benzoate;methyl 4-[[(2-pyridin-3-ylpyrimidin-4-yl)amino]methyl]benzoate is sourced from PubChem (CID 158248104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).