5-bromo-2,4-dichloropyrimidine;tert-butyl N-(3-aminophenyl)carbamate;tert-butyl N-[3-[(5-bromo-2-chloropyrimidin-4-yl)amino]phenyl]carbamate;tert-butyl N-[3-[[5-bromo-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]carbamate;tert-butyl N-[3-[[5-isocyano-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]carbamate;N-[3-[[5-isocyano-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;methane;4-(2-methoxyethoxy)aniline

C113H132Br3Cl3N26O17 — CID 159478558

About 5-bromo-2,4-dichloropyrimidine;tert-butyl N-(3-aminophenyl)carbamate;tert-butyl N-[3-[(5-bromo-2-chloropyrimidin-4-yl)amino]phenyl]carbamate;tert-butyl N-[3-[[5-bromo-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]carbamate;tert-butyl N-[3-[[5-isocyano-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]carbamate;N-[3-[[5-isocyano-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;methane;4-(2-methoxyethoxy)aniline

5-bromo-2,4-dichloropyrimidine;tert-butyl N-(3-aminophenyl)carbamate;tert-butyl N-[3-[(5-bromo-2-chloropyrimidin-4-yl)amino]phenyl]carbamate;tert-butyl N-[3-[[5-bromo-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]carbamate;tert-butyl N-[3-[[5-isocyano-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]carbamate;N-[3-[[5-isocyano-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;methane;4-(2-methoxyethoxy)aniline (PubChem CID 159478558) has the molecular formula C113H132Br3Cl3N26O17 and a molecular weight of 2472.53 g/mol. Its IUPAC name is 5-bromo-2,4-dichloropyrimidine;tert-butyl N-(3-aminophenyl)carbamate;tert-butyl N-[3-[(5-bromo-2-chloropyrimidin-4-yl)amino]phenyl]carbamate;tert-butyl N-[3-[[5-bromo-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]carbamate;tert-butyl N-[3-[[5-isocyano-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]carbamate;N-[3-[[5-isocyano-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;methane;4-(2-methoxyethoxy)aniline.

Molecular Properties

• Compound Name: 5-bromo-2,4-dichloropyrimidine;tert-butyl N-(3-aminophenyl)carbamate;tert-butyl N-[3-[(5-bromo-2-chloropyrimidin-4-yl)amino]phenyl]carbamate;tert-butyl N-[3-[[5-bromo-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]carbamate;tert-butyl N-[3-[[5-isocyano-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]carbamate;N-[3-[[5-isocyano-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;methane;4-(2-methoxyethoxy)aniline
• PubChem CID: 159478558
• Molecular Formula: C113H132Br3Cl3N26O17
• Molecular Weight: 2472.53 g/mol
• Exact Mass: 2466.69
• IUPAC Name: 5-bromo-2,4-dichloropyrimidine;tert-butyl N-(3-aminophenyl)carbamate;tert-butyl N-[3-[(5-bromo-2-chloropyrimidin-4-yl)amino]phenyl]carbamate;tert-butyl N-[3-[[5-bromo-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]carbamate;tert-butyl N-[3-[[5-isocyano-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]carbamate;N-[3-[[5-isocyano-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;methane;4-(2-methoxyethoxy)aniline
• SMILES: C.C.CC(C)(C)OC(=O)Nc1cccc(N)c1.CC(C)(C)OC(=O)Nc1cccc(Nc2nc(Cl)ncc2Br)c1.COCCOc1ccc(N)cc1.COCCOc1ccc(Nc2ncc(Br)c(Nc3cccc(NC(=O)OC(C)(C)C)c3)n2)cc1.Clc1ncc(Br)c(Cl)n1.[C-]#[N+]c1cnc(Nc2ccc(OCCOC)cc2)nc1Nc1cccc(NC(=O)C=C)c1.[C-]#[N+]c1cnc(Nc2ccc(OCCOC)cc2)nc1Nc1cccc(NC(=O)OC(C)(C)C)c1
• InChI: InChI=1S/C25H28N6O4.C24H28BrN5O4.C23H22N6O3.C15H16BrClN4O2.C11H16N2O2.C9H13NO2.C4HBrCl2N2.2CH4/c1-25(2,3)35-24(32)30-19-8-6-7-18(15-19)28-22-21(26-4)16-27-23(31-22)29-17-9-11-20(12-10-17)34-14-13-33-5;1-24(2,3)34-23(31)29-18-7-5-6-17(14-18)27-21-20(25)15-26-22(30-21)28-16-8-10-19(11-9-16)33-13-12-32-4;1-4-21(30)26-17-6-5-7-18(14-17)27-22-20(24-2)15-25-23(29-22)28-16-8-10-19(11-9-16)32-13-12-31-3;1-15(2,3)23-14(22)20-10-6-4-5-9(7-10)19-12-11(16)8-18-13(17)21-12;1-11(2,3)15-10(14)13-9-6-4-5-8(12)7-9;1-11-6-7-12-9-4-2-8(10)3-5-9;5-2-1-8-4(7)9-3(2)6;;/h6-12,15-16H,13-14H2,1-3,5H3,(H,30,32)(H2,27,28,29,31);5-11,14-15H,12-13H2,1-4H3,(H,29,31)(H2,26,27,28,30);4-11,14-15H,1,12-13H2,3H3,(H,26,30)(H2,25,27,28,29);4-8H,1-3H3,(H,20,22)(H,18,19,21);4-7H,12H2,1-3H3,(H,13,14);2-5H,6-7,10H2,1H3;1H;2*1H4
• InChIKey: LWRVBFFZSBNIEO-UHFFFAOYSA-N
• XLogP: 29.36
• TPSA: 530.13 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 36
• Rotatable Bonds: 36
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2472.53
LogP ≤ 5	29.36
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,4-dichloropyrimidine;tert-butyl N-(3-aminophenyl)carbamate;tert-butyl N-[3-[(5-bromo-2-chloropyrimidin-4-yl)amino]phenyl]carbamate;tert-butyl N-[3-[[5-bromo-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]carbamate;tert-butyl N-[3-[[5-isocyano-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]carbamate;N-[3-[[5-isocyano-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;methane;4-(2-methoxyethoxy)aniline?

The IUPAC name of 5-bromo-2,4-dichloropyrimidine;tert-butyl N-(3-aminophenyl)carbamate;tert-butyl N-[3-[(5-bromo-2-chloropyrimidin-4-yl)amino]phenyl]carbamate;tert-butyl N-[3-[[5-bromo-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]carbamate;tert-butyl N-[3-[[5-isocyano-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]carbamate;N-[3-[[5-isocyano-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;methane;4-(2-methoxyethoxy)aniline (CID 159478558) is 5-bromo-2,4-dichloropyrimidine;tert-butyl N-(3-aminophenyl)carbamate;tert-butyl N-[3-[(5-bromo-2-chloropyrimidin-4-yl)amino]phenyl]carbamate;tert-butyl N-[3-[[5-bromo-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]carbamate;tert-butyl N-[3-[[5-isocyano-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]carbamate;N-[3-[[5-isocyano-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;methane;4-(2-methoxyethoxy)aniline.

What is the SMILES notation for 5-bromo-2,4-dichloropyrimidine;tert-butyl N-(3-aminophenyl)carbamate;tert-butyl N-[3-[(5-bromo-2-chloropyrimidin-4-yl)amino]phenyl]carbamate;tert-butyl N-[3-[[5-bromo-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]carbamate;tert-butyl N-[3-[[5-isocyano-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]carbamate;N-[3-[[5-isocyano-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;methane;4-(2-methoxyethoxy)aniline?

The canonical SMILES for 5-bromo-2,4-dichloropyrimidine;tert-butyl N-(3-aminophenyl)carbamate;tert-butyl N-[3-[(5-bromo-2-chloropyrimidin-4-yl)amino]phenyl]carbamate;tert-butyl N-[3-[[5-bromo-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]carbamate;tert-butyl N-[3-[[5-isocyano-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]carbamate;N-[3-[[5-isocyano-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;methane;4-(2-methoxyethoxy)aniline is C.C.CC(C)(C)OC(=O)Nc1cccc(N)c1.CC(C)(C)OC(=O)Nc1cccc(Nc2nc(Cl)ncc2Br)c1.COCCOc1ccc(N)cc1.COCCOc1ccc(Nc2ncc(Br)c(Nc3cccc(NC(=O)OC(C)(C)C)c3)n2)cc1.Clc1ncc(Br)c(Cl)n1.[C-]#[N+]c1cnc(Nc2ccc(OCCOC)cc2)nc1Nc1cccc(NC(=O)C=C)c1.[C-]#[N+]c1cnc(Nc2ccc(OCCOC)cc2)nc1Nc1cccc(NC(=O)OC(C)(C)C)c1.

What is the InChIKey of 5-bromo-2,4-dichloropyrimidine;tert-butyl N-(3-aminophenyl)carbamate;tert-butyl N-[3-[(5-bromo-2-chloropyrimidin-4-yl)amino]phenyl]carbamate;tert-butyl N-[3-[[5-bromo-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]carbamate;tert-butyl N-[3-[[5-isocyano-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]carbamate;N-[3-[[5-isocyano-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;methane;4-(2-methoxyethoxy)aniline?

The InChIKey is LWRVBFFZSBNIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O4.C24H28BrN5O4.C23H22N6O3.C15H16BrClN4O2.C11H16N2O2.C9H13NO2.C4HBrCl2N2.2CH4/c1-25(2,3)35-24(32)30-19-8-6-7-18(15-19)28-22-21(26-4)16-27-23(31-22)29-17-9-11-20(12-10-17)34-14-13-33-5;1-24(2,3)34-23(31)29-18-7-5-6-17(14-18)27-21-20(25)15-26-22(30-21)28-16-8-10-19(11-9-16)33-13-12-32-4;1-4-21(30)26-17-6-5-7-18(14-17)27-22-20(24-2)15-25-23(29-22)28-16-8-10-19(11-9-16)32-13-12-31-3;1-15(2,3)23-14(22)20-10-6-4-5-9(7-10)19-12-11(16)8-18-13(17)21-12;1-11(2,3)15-10(14)13-9-6-4-5-8(12)7-9;1-11-6-7-12-9-4-2-8(10)3-5-9;5-2-1-8-4(7)9-3(2)6;;/h6-12,15-16H,13-14H2,1-3,5H3,(H,30,32)(H2,27,28,29,31);5-11,14-15H,12-13H2,1-4H3,(H,29,31)(H2,26,27,28,30);4-11,14-15H,1,12-13H2,3H3,(H,26,30)(H2,25,27,28,29);4-8H,1-3H3,(H,20,22)(H,18,19,21);4-7H,12H2,1-3H3,(H,13,14);2-5H,6-7,10H2,1H3;1H;2*1H4.

What are the key properties of 5-bromo-2,4-dichloropyrimidine;tert-butyl N-(3-aminophenyl)carbamate;tert-butyl N-[3-[(5-bromo-2-chloropyrimidin-4-yl)amino]phenyl]carbamate;tert-butyl N-[3-[[5-bromo-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]carbamate;tert-butyl N-[3-[[5-isocyano-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]carbamate;N-[3-[[5-isocyano-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;methane;4-(2-methoxyethoxy)aniline?

5-bromo-2,4-dichloropyrimidine;tert-butyl N-(3-aminophenyl)carbamate;tert-butyl N-[3-[(5-bromo-2-chloropyrimidin-4-yl)amino]phenyl]carbamate;tert-butyl N-[3-[[5-bromo-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]carbamate;tert-butyl N-[3-[[5-isocyano-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]carbamate;N-[3-[[5-isocyano-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;methane;4-(2-methoxyethoxy)aniline has a molecular weight of 2472.53 g/mol, XLogP of 29.36, 36 rotatable bonds, 14 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2,4-dichloropyrimidine;tert-butyl N-(3-aminophenyl)carbamate;tert-butyl N-[3-[(5-bromo-2-chloropyrimidin-4-yl)amino]phenyl]carbamate;tert-butyl N-[3-[[5-bromo-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]carbamate;tert-butyl N-[3-[[5-isocyano-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]carbamate;N-[3-[[5-isocyano-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;methane;4-(2-methoxyethoxy)aniline is sourced from PubChem (CID 159478558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).