N-(2-benzylpyrimidin-4-yl)-2-methyl-1H-indol-5-amine;N-[2-[(3-bromophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(3-chlorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(3-ethynylphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;2-methyl-N-[2-[(3-methylphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine

C123H107BrClFN24 — CID 158382666

About N-(2-benzylpyrimidin-4-yl)-2-methyl-1H-indol-5-amine;N-[2-[(3-bromophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(3-chlorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(3-ethynylphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;2-methyl-N-[2-[(3-methylphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine

N-(2-benzylpyrimidin-4-yl)-2-methyl-1H-indol-5-amine;N-[2-[(3-bromophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(3-chlorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(3-ethynylphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;2-methyl-N-[2-[(3-methylphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine (PubChem CID 158382666) has the molecular formula C123H107BrClFN24 and a molecular weight of 2055.73 g/mol. Its IUPAC name is N-(2-benzylpyrimidin-4-yl)-2-methyl-1H-indol-5-amine;N-[2-[(3-bromophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(3-chlorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(3-ethynylphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;2-methyl-N-[2-[(3-methylphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine.

Molecular Properties

• Compound Name: N-(2-benzylpyrimidin-4-yl)-2-methyl-1H-indol-5-amine;N-[2-[(3-bromophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(3-chlorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(3-ethynylphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;2-methyl-N-[2-[(3-methylphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine
• PubChem CID: 158382666
• Molecular Formula: C123H107BrClFN24
• Molecular Weight: 2055.73 g/mol
• Exact Mass: 2052.80
• IUPAC Name: N-(2-benzylpyrimidin-4-yl)-2-methyl-1H-indol-5-amine;N-[2-[(3-bromophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(3-chlorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(3-ethynylphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;2-methyl-N-[2-[(3-methylphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine
• SMILES: C#Cc1cccc(Cc2nccc(Nc3ccc4[nH]c(C)cc4c3)n2)c1.Cc1cc2cc(Nc3ccnc(Cc4cccc(Br)c4)n3)ccc2[nH]1.Cc1cc2cc(Nc3ccnc(Cc4cccc(Cl)c4)n3)ccc2[nH]1.Cc1cc2cc(Nc3ccnc(Cc4cccc(F)c4)n3)ccc2[nH]1.Cc1cc2cc(Nc3ccnc(Cc4ccccc4)n3)ccc2[nH]1.Cc1cccc(Cc2nccc(Nc3ccc4[nH]c(C)cc4c3)n2)c1
• InChI: InChI=1S/C22H18N4.C21H20N4.C20H17BrN4.C20H17ClN4.C20H17FN4.C20H18N4/c1-3-16-5-4-6-17(12-16)13-22-23-10-9-21(26-22)25-19-7-8-20-18(14-19)11-15(2)24-20;1-14-4-3-5-16(10-14)12-21-22-9-8-20(25-21)24-18-6-7-19-17(13-18)11-15(2)23-19;3*1-13-9-15-12-17(5-6-18(15)23-13)24-19-7-8-22-20(25-19)11-14-3-2-4-16(21)10-14;1-14-11-16-13-17(7-8-18(16)22-14)23-19-9-10-21-20(24-19)12-15-5-3-2-4-6-15/h1,4-12,14,24H,13H2,2H3,(H,23,25,26);3-11,13,23H,12H2,1-2H3,(H,22,24,25);3*2-10,12,23H,11H2,1H3,(H,22,24,25);2-11,13,22H,12H2,1H3,(H,21,23,24)
• InChIKey: GVZHFPUZVFQDPT-UHFFFAOYSA-N
• XLogP: 29.45
• TPSA: 321.60 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 18
• Rotatable Bonds: 24
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2055.73
LogP ≤ 5	29.45
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylpyrimidin-4-yl)-2-methyl-1H-indol-5-amine;N-[2-[(3-bromophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(3-chlorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(3-ethynylphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;2-methyl-N-[2-[(3-methylphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine?

The IUPAC name of N-(2-benzylpyrimidin-4-yl)-2-methyl-1H-indol-5-amine;N-[2-[(3-bromophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(3-chlorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(3-ethynylphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;2-methyl-N-[2-[(3-methylphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine (CID 158382666) is N-(2-benzylpyrimidin-4-yl)-2-methyl-1H-indol-5-amine;N-[2-[(3-bromophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(3-chlorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(3-ethynylphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;2-methyl-N-[2-[(3-methylphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine.

What is the SMILES notation for N-(2-benzylpyrimidin-4-yl)-2-methyl-1H-indol-5-amine;N-[2-[(3-bromophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(3-chlorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(3-ethynylphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;2-methyl-N-[2-[(3-methylphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine?

The canonical SMILES for N-(2-benzylpyrimidin-4-yl)-2-methyl-1H-indol-5-amine;N-[2-[(3-bromophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(3-chlorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(3-ethynylphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;2-methyl-N-[2-[(3-methylphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine is C#Cc1cccc(Cc2nccc(Nc3ccc4[nH]c(C)cc4c3)n2)c1.Cc1cc2cc(Nc3ccnc(Cc4cccc(Br)c4)n3)ccc2[nH]1.Cc1cc2cc(Nc3ccnc(Cc4cccc(Cl)c4)n3)ccc2[nH]1.Cc1cc2cc(Nc3ccnc(Cc4cccc(F)c4)n3)ccc2[nH]1.Cc1cc2cc(Nc3ccnc(Cc4ccccc4)n3)ccc2[nH]1.Cc1cccc(Cc2nccc(Nc3ccc4[nH]c(C)cc4c3)n2)c1.

What is the InChIKey of N-(2-benzylpyrimidin-4-yl)-2-methyl-1H-indol-5-amine;N-[2-[(3-bromophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(3-chlorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(3-ethynylphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;2-methyl-N-[2-[(3-methylphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine?

The InChIKey is GVZHFPUZVFQDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4.C21H20N4.C20H17BrN4.C20H17ClN4.C20H17FN4.C20H18N4/c1-3-16-5-4-6-17(12-16)13-22-23-10-9-21(26-22)25-19-7-8-20-18(14-19)11-15(2)24-20;1-14-4-3-5-16(10-14)12-21-22-9-8-20(25-21)24-18-6-7-19-17(13-18)11-15(2)23-19;3*1-13-9-15-12-17(5-6-18(15)23-13)24-19-7-8-22-20(25-19)11-14-3-2-4-16(21)10-14;1-14-11-16-13-17(7-8-18(16)22-14)23-19-9-10-21-20(24-19)12-15-5-3-2-4-6-15/h1,4-12,14,24H,13H2,2H3,(H,23,25,26);3-11,13,23H,12H2,1-2H3,(H,22,24,25);3*2-10,12,23H,11H2,1H3,(H,22,24,25);2-11,13,22H,12H2,1H3,(H,21,23,24).

What are the key properties of N-(2-benzylpyrimidin-4-yl)-2-methyl-1H-indol-5-amine;N-[2-[(3-bromophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(3-chlorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(3-ethynylphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;2-methyl-N-[2-[(3-methylphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine?

N-(2-benzylpyrimidin-4-yl)-2-methyl-1H-indol-5-amine;N-[2-[(3-bromophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(3-chlorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(3-ethynylphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;2-methyl-N-[2-[(3-methylphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine has a molecular weight of 2055.73 g/mol, XLogP of 29.45, 24 rotatable bonds, 12 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-benzylpyrimidin-4-yl)-2-methyl-1H-indol-5-amine;N-[2-[(3-bromophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(3-chlorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(3-ethynylphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;2-methyl-N-[2-[(3-methylphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine is sourced from PubChem (CID 158382666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).