2-bromo-1-(4-methyl-3-nitrophenyl)ethanone;2-methyl-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)aniline;N-[2-methyl-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-phenylbutanamide;6-methyl-2-(4-methyl-3-nitrophenyl)imidazo[1,2-a]pyrimidine;1-(4-methylphenyl)ethanone;5-methylpyrimidin-2-amine;2-phenylbutanoyl chloride

C85H86BrClN16O8 — CID 157202285

About 2-bromo-1-(4-methyl-3-nitrophenyl)ethanone;2-methyl-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)aniline;N-[2-methyl-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-phenylbutanamide;6-methyl-2-(4-methyl-3-nitrophenyl)imidazo[1,2-a]pyrimidine;1-(4-methylphenyl)ethanone;5-methylpyrimidin-2-amine;2-phenylbutanoyl chloride

2-bromo-1-(4-methyl-3-nitrophenyl)ethanone;2-methyl-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)aniline;N-[2-methyl-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-phenylbutanamide;6-methyl-2-(4-methyl-3-nitrophenyl)imidazo[1,2-a]pyrimidine;1-(4-methylphenyl)ethanone;5-methylpyrimidin-2-amine;2-phenylbutanoyl chloride (PubChem CID 157202285) has the molecular formula C85H86BrClN16O8 and a molecular weight of 1575.08 g/mol. Its IUPAC name is 2-bromo-1-(4-methyl-3-nitrophenyl)ethanone;2-methyl-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)aniline;N-[2-methyl-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-phenylbutanamide;6-methyl-2-(4-methyl-3-nitrophenyl)imidazo[1,2-a]pyrimidine;1-(4-methylphenyl)ethanone;5-methylpyrimidin-2-amine;2-phenylbutanoyl chloride.

Molecular Properties

• Compound Name: 2-bromo-1-(4-methyl-3-nitrophenyl)ethanone;2-methyl-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)aniline;N-[2-methyl-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-phenylbutanamide;6-methyl-2-(4-methyl-3-nitrophenyl)imidazo[1,2-a]pyrimidine;1-(4-methylphenyl)ethanone;5-methylpyrimidin-2-amine;2-phenylbutanoyl chloride
• PubChem CID: 157202285
• Molecular Formula: C85H86BrClN16O8
• Molecular Weight: 1575.08 g/mol
• Exact Mass: 1572.57
• IUPAC Name: 2-bromo-1-(4-methyl-3-nitrophenyl)ethanone;2-methyl-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)aniline;N-[2-methyl-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-phenylbutanamide;6-methyl-2-(4-methyl-3-nitrophenyl)imidazo[1,2-a]pyrimidine;1-(4-methylphenyl)ethanone;5-methylpyrimidin-2-amine;2-phenylbutanoyl chloride
• SMILES: CC(=O)c1ccc(C)cc1.CCC(C(=O)Cl)c1ccccc1.CCC(C(=O)Nc1cc(-c2cn3cc(C)cnc3n2)ccc1C)c1ccccc1.Cc1ccc(C(=O)CBr)cc1[N+](=O)[O-].Cc1cnc(N)nc1.Cc1cnc2nc(-c3ccc(C)c(N)c3)cn2c1.Cc1cnc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cn2c1
• InChI: InChI=1S/C24H24N4O.C14H12N4O2.C14H14N4.C10H11ClO.C9H8BrNO3.C9H10O.C5H7N3/c1-4-20(18-8-6-5-7-9-18)23(29)26-21-12-19(11-10-17(21)3)22-15-28-14-16(2)13-25-24(28)27-22;1-9-6-15-14-16-12(8-17(14)7-9)11-4-3-10(2)13(5-11)18(19)20;1-9-6-16-14-17-13(8-18(14)7-9)11-4-3-10(2)12(15)5-11;1-2-9(10(11)12)8-6-4-3-5-7-8;1-6-2-3-7(9(12)5-10)4-8(6)11(13)14;1-7-3-5-9(6-4-7)8(2)10;1-4-2-7-5(6)8-3-4/h5-15,20H,4H2,1-3H3,(H,26,29);3-8H,1-2H3;3-8H,15H2,1-2H3;3-7,9H,2H2,1H3;2-4H,5H2,1H3;3-6H,1-2H3;2-3H,1H3,(H2,6,7,8)
• InChIKey: AQXZCXXPIMKPHN-UHFFFAOYSA-N
• XLogP: 18.65
• TPSA: 334.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 15
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1575.08
LogP ≤ 5	18.65
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(4-methyl-3-nitrophenyl)ethanone;2-methyl-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)aniline;N-[2-methyl-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-phenylbutanamide;6-methyl-2-(4-methyl-3-nitrophenyl)imidazo[1,2-a]pyrimidine;1-(4-methylphenyl)ethanone;5-methylpyrimidin-2-amine;2-phenylbutanoyl chloride?

The IUPAC name of 2-bromo-1-(4-methyl-3-nitrophenyl)ethanone;2-methyl-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)aniline;N-[2-methyl-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-phenylbutanamide;6-methyl-2-(4-methyl-3-nitrophenyl)imidazo[1,2-a]pyrimidine;1-(4-methylphenyl)ethanone;5-methylpyrimidin-2-amine;2-phenylbutanoyl chloride (CID 157202285) is 2-bromo-1-(4-methyl-3-nitrophenyl)ethanone;2-methyl-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)aniline;N-[2-methyl-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-phenylbutanamide;6-methyl-2-(4-methyl-3-nitrophenyl)imidazo[1,2-a]pyrimidine;1-(4-methylphenyl)ethanone;5-methylpyrimidin-2-amine;2-phenylbutanoyl chloride.

What is the SMILES notation for 2-bromo-1-(4-methyl-3-nitrophenyl)ethanone;2-methyl-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)aniline;N-[2-methyl-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-phenylbutanamide;6-methyl-2-(4-methyl-3-nitrophenyl)imidazo[1,2-a]pyrimidine;1-(4-methylphenyl)ethanone;5-methylpyrimidin-2-amine;2-phenylbutanoyl chloride?

The canonical SMILES for 2-bromo-1-(4-methyl-3-nitrophenyl)ethanone;2-methyl-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)aniline;N-[2-methyl-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-phenylbutanamide;6-methyl-2-(4-methyl-3-nitrophenyl)imidazo[1,2-a]pyrimidine;1-(4-methylphenyl)ethanone;5-methylpyrimidin-2-amine;2-phenylbutanoyl chloride is CC(=O)c1ccc(C)cc1.CCC(C(=O)Cl)c1ccccc1.CCC(C(=O)Nc1cc(-c2cn3cc(C)cnc3n2)ccc1C)c1ccccc1.Cc1ccc(C(=O)CBr)cc1[N+](=O)[O-].Cc1cnc(N)nc1.Cc1cnc2nc(-c3ccc(C)c(N)c3)cn2c1.Cc1cnc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cn2c1.

What is the InChIKey of 2-bromo-1-(4-methyl-3-nitrophenyl)ethanone;2-methyl-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)aniline;N-[2-methyl-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-phenylbutanamide;6-methyl-2-(4-methyl-3-nitrophenyl)imidazo[1,2-a]pyrimidine;1-(4-methylphenyl)ethanone;5-methylpyrimidin-2-amine;2-phenylbutanoyl chloride?

The InChIKey is AQXZCXXPIMKPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O.C14H12N4O2.C14H14N4.C10H11ClO.C9H8BrNO3.C9H10O.C5H7N3/c1-4-20(18-8-6-5-7-9-18)23(29)26-21-12-19(11-10-17(21)3)22-15-28-14-16(2)13-25-24(28)27-22;1-9-6-15-14-16-12(8-17(14)7-9)11-4-3-10(2)13(5-11)18(19)20;1-9-6-16-14-17-13(8-18(14)7-9)11-4-3-10(2)12(15)5-11;1-2-9(10(11)12)8-6-4-3-5-7-8;1-6-2-3-7(9(12)5-10)4-8(6)11(13)14;1-7-3-5-9(6-4-7)8(2)10;1-4-2-7-5(6)8-3-4/h5-15,20H,4H2,1-3H3,(H,26,29);3-8H,1-2H3;3-8H,15H2,1-2H3;3-7,9H,2H2,1H3;2-4H,5H2,1H3;3-6H,1-2H3;2-3H,1H3,(H2,6,7,8).

What are the key properties of 2-bromo-1-(4-methyl-3-nitrophenyl)ethanone;2-methyl-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)aniline;N-[2-methyl-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-phenylbutanamide;6-methyl-2-(4-methyl-3-nitrophenyl)imidazo[1,2-a]pyrimidine;1-(4-methylphenyl)ethanone;5-methylpyrimidin-2-amine;2-phenylbutanoyl chloride?

2-bromo-1-(4-methyl-3-nitrophenyl)ethanone;2-methyl-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)aniline;N-[2-methyl-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-phenylbutanamide;6-methyl-2-(4-methyl-3-nitrophenyl)imidazo[1,2-a]pyrimidine;1-(4-methylphenyl)ethanone;5-methylpyrimidin-2-amine;2-phenylbutanoyl chloride has a molecular weight of 1575.08 g/mol, XLogP of 18.65, 15 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-1-(4-methyl-3-nitrophenyl)ethanone;2-methyl-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)aniline;N-[2-methyl-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-phenylbutanamide;6-methyl-2-(4-methyl-3-nitrophenyl)imidazo[1,2-a]pyrimidine;1-(4-methylphenyl)ethanone;5-methylpyrimidin-2-amine;2-phenylbutanoyl chloride is sourced from PubChem (CID 157202285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).