N-(5-bromo-2-chloropyrimidin-4-yl)-5-dimethylphosphorylquinoxalin-6-amine;5-bromo-4-N-(5-dimethylphosphorylquinoxalin-6-yl)-2-N-[2-methoxy-5-(1-methylpyrazol-4-yl)-4-morpholin-4-ylphenyl]pyrimidine-2,4-diamine;2-methoxy-5-(1-methylpyrazol-4-yl)-4-morpholin-4-ylaniline

C58H63Br2ClN18O6P2 — CID 167542224

About N-(5-bromo-2-chloropyrimidin-4-yl)-5-dimethylphosphorylquinoxalin-6-amine;5-bromo-4-N-(5-dimethylphosphorylquinoxalin-6-yl)-2-N-[2-methoxy-5-(1-methylpyrazol-4-yl)-4-morpholin-4-ylphenyl]pyrimidine-2,4-diamine;2-methoxy-5-(1-methylpyrazol-4-yl)-4-morpholin-4-ylaniline

N-(5-bromo-2-chloropyrimidin-4-yl)-5-dimethylphosphorylquinoxalin-6-amine;5-bromo-4-N-(5-dimethylphosphorylquinoxalin-6-yl)-2-N-[2-methoxy-5-(1-methylpyrazol-4-yl)-4-morpholin-4-ylphenyl]pyrimidine-2,4-diamine;2-methoxy-5-(1-methylpyrazol-4-yl)-4-morpholin-4-ylaniline (PubChem CID 167542224) has the molecular formula C58H63Br2ClN18O6P2 and a molecular weight of 1365.47 g/mol. Its IUPAC name is N-(5-bromo-2-chloropyrimidin-4-yl)-5-dimethylphosphorylquinoxalin-6-amine;5-bromo-4-N-(5-dimethylphosphorylquinoxalin-6-yl)-2-N-[2-methoxy-5-(1-methylpyrazol-4-yl)-4-morpholin-4-ylphenyl]pyrimidine-2,4-diamine;2-methoxy-5-(1-methylpyrazol-4-yl)-4-morpholin-4-ylaniline.

Molecular Properties

• Compound Name: N-(5-bromo-2-chloropyrimidin-4-yl)-5-dimethylphosphorylquinoxalin-6-amine;5-bromo-4-N-(5-dimethylphosphorylquinoxalin-6-yl)-2-N-[2-methoxy-5-(1-methylpyrazol-4-yl)-4-morpholin-4-ylphenyl]pyrimidine-2,4-diamine;2-methoxy-5-(1-methylpyrazol-4-yl)-4-morpholin-4-ylaniline
• PubChem CID: 167542224
• Molecular Formula: C58H63Br2ClN18O6P2
• Molecular Weight: 1365.47 g/mol
• Exact Mass: 1362.27
• IUPAC Name: N-(5-bromo-2-chloropyrimidin-4-yl)-5-dimethylphosphorylquinoxalin-6-amine;5-bromo-4-N-(5-dimethylphosphorylquinoxalin-6-yl)-2-N-[2-methoxy-5-(1-methylpyrazol-4-yl)-4-morpholin-4-ylphenyl]pyrimidine-2,4-diamine;2-methoxy-5-(1-methylpyrazol-4-yl)-4-morpholin-4-ylaniline
• SMILES: COc1cc(N2CCOCC2)c(-c2cnn(C)c2)cc1N.COc1cc(N2CCOCC2)c(-c2cnn(C)c2)cc1Nc1ncc(Br)c(Nc2ccc3nccnc3c2P(C)(C)=O)n1.CP(C)(=O)c1c(Nc2nc(Cl)ncc2Br)ccc2nccnc12
• InChI: InChI=1S/C29H31BrN9O3P.C15H20N4O2.C14H12BrClN5OP/c1-38-17-18(15-34-38)19-13-23(25(41-2)14-24(19)39-9-11-42-12-10-39)36-29-33-16-20(30)28(37-29)35-22-6-5-21-26(32-8-7-31-21)27(22)43(3,4)40;1-18-10-11(9-17-18)12-7-13(16)15(20-2)8-14(12)19-3-5-21-6-4-19;1-23(2,22)12-10(4-3-9-11(12)18-6-5-17-9)20-13-8(15)7-19-14(16)21-13/h5-8,13-17H,9-12H2,1-4H3,(H2,33,35,36,37);7-10H,3-6,16H2,1-2H3;3-7H,1-2H3,(H,19,20,21)
• InChIKey: BINWNBGSWBUFJB-UHFFFAOYSA-N
• XLogP: 10.51
• TPSA: 278.41 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 14
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1365.47
LogP ≤ 5	10.51
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chloropyrimidin-4-yl)-5-dimethylphosphorylquinoxalin-6-amine;5-bromo-4-N-(5-dimethylphosphorylquinoxalin-6-yl)-2-N-[2-methoxy-5-(1-methylpyrazol-4-yl)-4-morpholin-4-ylphenyl]pyrimidine-2,4-diamine;2-methoxy-5-(1-methylpyrazol-4-yl)-4-morpholin-4-ylaniline?

The IUPAC name of N-(5-bromo-2-chloropyrimidin-4-yl)-5-dimethylphosphorylquinoxalin-6-amine;5-bromo-4-N-(5-dimethylphosphorylquinoxalin-6-yl)-2-N-[2-methoxy-5-(1-methylpyrazol-4-yl)-4-morpholin-4-ylphenyl]pyrimidine-2,4-diamine;2-methoxy-5-(1-methylpyrazol-4-yl)-4-morpholin-4-ylaniline (CID 167542224) is N-(5-bromo-2-chloropyrimidin-4-yl)-5-dimethylphosphorylquinoxalin-6-amine;5-bromo-4-N-(5-dimethylphosphorylquinoxalin-6-yl)-2-N-[2-methoxy-5-(1-methylpyrazol-4-yl)-4-morpholin-4-ylphenyl]pyrimidine-2,4-diamine;2-methoxy-5-(1-methylpyrazol-4-yl)-4-morpholin-4-ylaniline.

What is the SMILES notation for N-(5-bromo-2-chloropyrimidin-4-yl)-5-dimethylphosphorylquinoxalin-6-amine;5-bromo-4-N-(5-dimethylphosphorylquinoxalin-6-yl)-2-N-[2-methoxy-5-(1-methylpyrazol-4-yl)-4-morpholin-4-ylphenyl]pyrimidine-2,4-diamine;2-methoxy-5-(1-methylpyrazol-4-yl)-4-morpholin-4-ylaniline?

The canonical SMILES for N-(5-bromo-2-chloropyrimidin-4-yl)-5-dimethylphosphorylquinoxalin-6-amine;5-bromo-4-N-(5-dimethylphosphorylquinoxalin-6-yl)-2-N-[2-methoxy-5-(1-methylpyrazol-4-yl)-4-morpholin-4-ylphenyl]pyrimidine-2,4-diamine;2-methoxy-5-(1-methylpyrazol-4-yl)-4-morpholin-4-ylaniline is COc1cc(N2CCOCC2)c(-c2cnn(C)c2)cc1N.COc1cc(N2CCOCC2)c(-c2cnn(C)c2)cc1Nc1ncc(Br)c(Nc2ccc3nccnc3c2P(C)(C)=O)n1.CP(C)(=O)c1c(Nc2nc(Cl)ncc2Br)ccc2nccnc12.

What is the InChIKey of N-(5-bromo-2-chloropyrimidin-4-yl)-5-dimethylphosphorylquinoxalin-6-amine;5-bromo-4-N-(5-dimethylphosphorylquinoxalin-6-yl)-2-N-[2-methoxy-5-(1-methylpyrazol-4-yl)-4-morpholin-4-ylphenyl]pyrimidine-2,4-diamine;2-methoxy-5-(1-methylpyrazol-4-yl)-4-morpholin-4-ylaniline?

The InChIKey is BINWNBGSWBUFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31BrN9O3P.C15H20N4O2.C14H12BrClN5OP/c1-38-17-18(15-34-38)19-13-23(25(41-2)14-24(19)39-9-11-42-12-10-39)36-29-33-16-20(30)28(37-29)35-22-6-5-21-26(32-8-7-31-21)27(22)43(3,4)40;1-18-10-11(9-17-18)12-7-13(16)15(20-2)8-14(12)19-3-5-21-6-4-19;1-23(2,22)12-10(4-3-9-11(12)18-6-5-17-9)20-13-8(15)7-19-14(16)21-13/h5-8,13-17H,9-12H2,1-4H3,(H2,33,35,36,37);7-10H,3-6,16H2,1-2H3;3-7H,1-2H3,(H,19,20,21).

What are the key properties of N-(5-bromo-2-chloropyrimidin-4-yl)-5-dimethylphosphorylquinoxalin-6-amine;5-bromo-4-N-(5-dimethylphosphorylquinoxalin-6-yl)-2-N-[2-methoxy-5-(1-methylpyrazol-4-yl)-4-morpholin-4-ylphenyl]pyrimidine-2,4-diamine;2-methoxy-5-(1-methylpyrazol-4-yl)-4-morpholin-4-ylaniline?

N-(5-bromo-2-chloropyrimidin-4-yl)-5-dimethylphosphorylquinoxalin-6-amine;5-bromo-4-N-(5-dimethylphosphorylquinoxalin-6-yl)-2-N-[2-methoxy-5-(1-methylpyrazol-4-yl)-4-morpholin-4-ylphenyl]pyrimidine-2,4-diamine;2-methoxy-5-(1-methylpyrazol-4-yl)-4-morpholin-4-ylaniline has a molecular weight of 1365.47 g/mol, XLogP of 10.51, 14 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-bromo-2-chloropyrimidin-4-yl)-5-dimethylphosphorylquinoxalin-6-amine;5-bromo-4-N-(5-dimethylphosphorylquinoxalin-6-yl)-2-N-[2-methoxy-5-(1-methylpyrazol-4-yl)-4-morpholin-4-ylphenyl]pyrimidine-2,4-diamine;2-methoxy-5-(1-methylpyrazol-4-yl)-4-morpholin-4-ylaniline is sourced from PubChem (CID 167542224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).