1-(6-amino-3-pyridinyl)-2-[3-[4-(cyclopropylamino)-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]phenyl]ethanone;1-(6-amino-3-pyridinyl)-2-[3-(5-methyl-4-pyrrolidin-1-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]ethanone;1-(5-bromo-2-methoxyphenyl)-3-[3-[5-methyl-4-(pyridin-3-ylmethylamino)pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]propane-2-thione;1-(5-bromo-2-methoxyphenyl)-3-[3-[5-methyl-4-(pyridin-3-ylmethylamino)pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]propan-2-one;2-[3-[4-(cyclopropylamino)-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]phenyl]-1-(3-methylphenyl)ethanone

C130H122Br2N26O6S — CID 158719907

About 1-(6-amino-3-pyridinyl)-2-[3-[4-(cyclopropylamino)-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]phenyl]ethanone;1-(6-amino-3-pyridinyl)-2-[3-(5-methyl-4-pyrrolidin-1-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]ethanone;1-(5-bromo-2-methoxyphenyl)-3-[3-[5-methyl-4-(pyridin-3-ylmethylamino)pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]propane-2-thione;1-(5-bromo-2-methoxyphenyl)-3-[3-[5-methyl-4-(pyridin-3-ylmethylamino)pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]propan-2-one;2-[3-[4-(cyclopropylamino)-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]phenyl]-1-(3-methylphenyl)ethanone

1-(6-amino-3-pyridinyl)-2-[3-[4-(cyclopropylamino)-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]phenyl]ethanone;1-(6-amino-3-pyridinyl)-2-[3-(5-methyl-4-pyrrolidin-1-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]ethanone;1-(5-bromo-2-methoxyphenyl)-3-[3-[5-methyl-4-(pyridin-3-ylmethylamino)pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]propane-2-thione;1-(5-bromo-2-methoxyphenyl)-3-[3-[5-methyl-4-(pyridin-3-ylmethylamino)pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]propan-2-one;2-[3-[4-(cyclopropylamino)-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]phenyl]-1-(3-methylphenyl)ethanone (PubChem CID 158719907) has the molecular formula C130H122Br2N26O6S and a molecular weight of 2336.46 g/mol. Its IUPAC name is 1-(6-amino-3-pyridinyl)-2-[3-[4-(cyclopropylamino)-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]phenyl]ethanone;1-(6-amino-3-pyridinyl)-2-[3-(5-methyl-4-pyrrolidin-1-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]ethanone;1-(5-bromo-2-methoxyphenyl)-3-[3-[5-methyl-4-(pyridin-3-ylmethylamino)pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]propane-2-thione;1-(5-bromo-2-methoxyphenyl)-3-[3-[5-methyl-4-(pyridin-3-ylmethylamino)pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]propan-2-one;2-[3-[4-(cyclopropylamino)-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]phenyl]-1-(3-methylphenyl)ethanone.

Molecular Properties

• Compound Name: 1-(6-amino-3-pyridinyl)-2-[3-[4-(cyclopropylamino)-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]phenyl]ethanone;1-(6-amino-3-pyridinyl)-2-[3-(5-methyl-4-pyrrolidin-1-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]ethanone;1-(5-bromo-2-methoxyphenyl)-3-[3-[5-methyl-4-(pyridin-3-ylmethylamino)pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]propane-2-thione;1-(5-bromo-2-methoxyphenyl)-3-[3-[5-methyl-4-(pyridin-3-ylmethylamino)pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]propan-2-one;2-[3-[4-(cyclopropylamino)-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]phenyl]-1-(3-methylphenyl)ethanone
• PubChem CID: 158719907
• Molecular Formula: C130H122Br2N26O6S
• Molecular Weight: 2336.46 g/mol
• Exact Mass: 2332.81
• IUPAC Name: 1-(6-amino-3-pyridinyl)-2-[3-[4-(cyclopropylamino)-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]phenyl]ethanone;1-(6-amino-3-pyridinyl)-2-[3-(5-methyl-4-pyrrolidin-1-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]ethanone;1-(5-bromo-2-methoxyphenyl)-3-[3-[5-methyl-4-(pyridin-3-ylmethylamino)pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]propane-2-thione;1-(5-bromo-2-methoxyphenyl)-3-[3-[5-methyl-4-(pyridin-3-ylmethylamino)pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]propan-2-one;2-[3-[4-(cyclopropylamino)-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]phenyl]-1-(3-methylphenyl)ethanone
• SMILES: COc1ccc(Br)cc1CC(=O)Cc1cccc(-c2nc(NCc3cccnc3)c3c(ccn3C)n2)c1.COc1ccc(Br)cc1CC(=S)Cc1cccc(-c2nc(NCc3cccnc3)c3c(ccn3C)n2)c1.Cc1cccc(C(=O)Cc2cccc(-c3nc(NC4CC4)c4c(ccn4C)n3)c2)c1.Cn1ccc2nc(-c3cccc(CC(=O)c4ccc(N)nc4)c3)nc(N3CCCC3)c21.Cn1ccc2nc(-c3cccc(CC(=O)c4ccc(N)nc4)c3)nc(NC3CC3)c21
• InChI: InChI=1S/C29H26BrN5O2.C29H26BrN5OS.C25H24N4O.C24H24N6O.C23H22N6O/c1-35-12-10-25-27(35)29(32-18-20-6-4-11-31-17-20)34-28(33-25)21-7-3-5-19(13-21)14-24(36)16-22-15-23(30)8-9-26(22)37-2;1-35-12-10-25-27(35)29(32-18-20-6-4-11-31-17-20)34-28(33-25)21-7-3-5-19(13-21)14-24(37)16-22-15-23(30)8-9-26(22)36-2;1-16-5-3-7-18(13-16)22(30)15-17-6-4-8-19(14-17)24-27-21-11-12-29(2)23(21)25(28-24)26-20-9-10-20;1-29-12-9-19-22(29)24(30-10-2-3-11-30)28-23(27-19)17-6-4-5-16(13-17)14-20(31)18-7-8-21(25)26-15-18;1-29-10-9-18-21(29)23(26-17-6-7-17)28-22(27-18)15-4-2-3-14(11-15)12-19(30)16-5-8-20(24)25-13-16/h2*3-13,15,17H,14,16,18H2,1-2H3,(H,32,33,34);3-8,11-14,20H,9-10,15H2,1-2H3,(H,26,27,28);4-9,12-13,15H,2-3,10-11,14H2,1H3,(H2,25,26);2-5,8-11,13,17H,6-7,12H2,1H3,(H2,24,25)(H,26,27,28)
• InChIKey: IJUANMVYWDKNFZ-UHFFFAOYSA-N
• XLogP: 24.53
• TPSA: 395.25 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 33
• Rotatable Bonds: 35
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2336.46
LogP ≤ 5	24.53
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-3-pyridinyl)-2-[3-[4-(cyclopropylamino)-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]phenyl]ethanone;1-(6-amino-3-pyridinyl)-2-[3-(5-methyl-4-pyrrolidin-1-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]ethanone;1-(5-bromo-2-methoxyphenyl)-3-[3-[5-methyl-4-(pyridin-3-ylmethylamino)pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]propane-2-thione;1-(5-bromo-2-methoxyphenyl)-3-[3-[5-methyl-4-(pyridin-3-ylmethylamino)pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]propan-2-one;2-[3-[4-(cyclopropylamino)-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]phenyl]-1-(3-methylphenyl)ethanone?

The IUPAC name of 1-(6-amino-3-pyridinyl)-2-[3-[4-(cyclopropylamino)-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]phenyl]ethanone;1-(6-amino-3-pyridinyl)-2-[3-(5-methyl-4-pyrrolidin-1-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]ethanone;1-(5-bromo-2-methoxyphenyl)-3-[3-[5-methyl-4-(pyridin-3-ylmethylamino)pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]propane-2-thione;1-(5-bromo-2-methoxyphenyl)-3-[3-[5-methyl-4-(pyridin-3-ylmethylamino)pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]propan-2-one;2-[3-[4-(cyclopropylamino)-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]phenyl]-1-(3-methylphenyl)ethanone (CID 158719907) is 1-(6-amino-3-pyridinyl)-2-[3-[4-(cyclopropylamino)-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]phenyl]ethanone;1-(6-amino-3-pyridinyl)-2-[3-(5-methyl-4-pyrrolidin-1-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]ethanone;1-(5-bromo-2-methoxyphenyl)-3-[3-[5-methyl-4-(pyridin-3-ylmethylamino)pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]propane-2-thione;1-(5-bromo-2-methoxyphenyl)-3-[3-[5-methyl-4-(pyridin-3-ylmethylamino)pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]propan-2-one;2-[3-[4-(cyclopropylamino)-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]phenyl]-1-(3-methylphenyl)ethanone.

What is the SMILES notation for 1-(6-amino-3-pyridinyl)-2-[3-[4-(cyclopropylamino)-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]phenyl]ethanone;1-(6-amino-3-pyridinyl)-2-[3-(5-methyl-4-pyrrolidin-1-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]ethanone;1-(5-bromo-2-methoxyphenyl)-3-[3-[5-methyl-4-(pyridin-3-ylmethylamino)pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]propane-2-thione;1-(5-bromo-2-methoxyphenyl)-3-[3-[5-methyl-4-(pyridin-3-ylmethylamino)pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]propan-2-one;2-[3-[4-(cyclopropylamino)-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]phenyl]-1-(3-methylphenyl)ethanone?

The canonical SMILES for 1-(6-amino-3-pyridinyl)-2-[3-[4-(cyclopropylamino)-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]phenyl]ethanone;1-(6-amino-3-pyridinyl)-2-[3-(5-methyl-4-pyrrolidin-1-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]ethanone;1-(5-bromo-2-methoxyphenyl)-3-[3-[5-methyl-4-(pyridin-3-ylmethylamino)pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]propane-2-thione;1-(5-bromo-2-methoxyphenyl)-3-[3-[5-methyl-4-(pyridin-3-ylmethylamino)pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]propan-2-one;2-[3-[4-(cyclopropylamino)-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]phenyl]-1-(3-methylphenyl)ethanone is COc1ccc(Br)cc1CC(=O)Cc1cccc(-c2nc(NCc3cccnc3)c3c(ccn3C)n2)c1.COc1ccc(Br)cc1CC(=S)Cc1cccc(-c2nc(NCc3cccnc3)c3c(ccn3C)n2)c1.Cc1cccc(C(=O)Cc2cccc(-c3nc(NC4CC4)c4c(ccn4C)n3)c2)c1.Cn1ccc2nc(-c3cccc(CC(=O)c4ccc(N)nc4)c3)nc(N3CCCC3)c21.Cn1ccc2nc(-c3cccc(CC(=O)c4ccc(N)nc4)c3)nc(NC3CC3)c21.

What is the InChIKey of 1-(6-amino-3-pyridinyl)-2-[3-[4-(cyclopropylamino)-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]phenyl]ethanone;1-(6-amino-3-pyridinyl)-2-[3-(5-methyl-4-pyrrolidin-1-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]ethanone;1-(5-bromo-2-methoxyphenyl)-3-[3-[5-methyl-4-(pyridin-3-ylmethylamino)pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]propane-2-thione;1-(5-bromo-2-methoxyphenyl)-3-[3-[5-methyl-4-(pyridin-3-ylmethylamino)pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]propan-2-one;2-[3-[4-(cyclopropylamino)-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]phenyl]-1-(3-methylphenyl)ethanone?

The InChIKey is IJUANMVYWDKNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26BrN5O2.C29H26BrN5OS.C25H24N4O.C24H24N6O.C23H22N6O/c1-35-12-10-25-27(35)29(32-18-20-6-4-11-31-17-20)34-28(33-25)21-7-3-5-19(13-21)14-24(36)16-22-15-23(30)8-9-26(22)37-2;1-35-12-10-25-27(35)29(32-18-20-6-4-11-31-17-20)34-28(33-25)21-7-3-5-19(13-21)14-24(37)16-22-15-23(30)8-9-26(22)36-2;1-16-5-3-7-18(13-16)22(30)15-17-6-4-8-19(14-17)24-27-21-11-12-29(2)23(21)25(28-24)26-20-9-10-20;1-29-12-9-19-22(29)24(30-10-2-3-11-30)28-23(27-19)17-6-4-5-16(13-17)14-20(31)18-7-8-21(25)26-15-18;1-29-10-9-18-21(29)23(26-17-6-7-17)28-22(27-18)15-4-2-3-14(11-15)12-19(30)16-5-8-20(24)25-13-16/h2*3-13,15,17H,14,16,18H2,1-2H3,(H,32,33,34);3-8,11-14,20H,9-10,15H2,1-2H3,(H,26,27,28);4-9,12-13,15H,2-3,10-11,14H2,1H3,(H2,25,26);2-5,8-11,13,17H,6-7,12H2,1H3,(H2,24,25)(H,26,27,28).

What are the key properties of 1-(6-amino-3-pyridinyl)-2-[3-[4-(cyclopropylamino)-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]phenyl]ethanone;1-(6-amino-3-pyridinyl)-2-[3-(5-methyl-4-pyrrolidin-1-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]ethanone;1-(5-bromo-2-methoxyphenyl)-3-[3-[5-methyl-4-(pyridin-3-ylmethylamino)pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]propane-2-thione;1-(5-bromo-2-methoxyphenyl)-3-[3-[5-methyl-4-(pyridin-3-ylmethylamino)pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]propan-2-one;2-[3-[4-(cyclopropylamino)-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]phenyl]-1-(3-methylphenyl)ethanone?

1-(6-amino-3-pyridinyl)-2-[3-[4-(cyclopropylamino)-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]phenyl]ethanone;1-(6-amino-3-pyridinyl)-2-[3-(5-methyl-4-pyrrolidin-1-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]ethanone;1-(5-bromo-2-methoxyphenyl)-3-[3-[5-methyl-4-(pyridin-3-ylmethylamino)pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]propane-2-thione;1-(5-bromo-2-methoxyphenyl)-3-[3-[5-methyl-4-(pyridin-3-ylmethylamino)pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]propan-2-one;2-[3-[4-(cyclopropylamino)-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]phenyl]-1-(3-methylphenyl)ethanone has a molecular weight of 2336.46 g/mol, XLogP of 24.53, 35 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(6-amino-3-pyridinyl)-2-[3-[4-(cyclopropylamino)-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]phenyl]ethanone;1-(6-amino-3-pyridinyl)-2-[3-(5-methyl-4-pyrrolidin-1-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]ethanone;1-(5-bromo-2-methoxyphenyl)-3-[3-[5-methyl-4-(pyridin-3-ylmethylamino)pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]propane-2-thione;1-(5-bromo-2-methoxyphenyl)-3-[3-[5-methyl-4-(pyridin-3-ylmethylamino)pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]propan-2-one;2-[3-[4-(cyclopropylamino)-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]phenyl]-1-(3-methylphenyl)ethanone is sourced from PubChem (CID 158719907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).