1-(4-aminophenyl)-2-[3-[4-(cyclopropylamino)thieno[3,2-d]pyrimidin-2-yl]phenyl]ethanone;2-[3-[4-(cyclopropylamino)thieno[3,2-d]pyrimidin-2-yl]phenyl]-1-(3-methylphenyl)ethanone;2-[3-[(3-cyclopropyl-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[(3-cyclopropyl-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]-4-methylphenyl]-1-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;2-[3-[4-[4-(dimethylamino)cyclohexyl]thieno[3,2-d]pyrimidin-2-yl]phenyl]-1-(3-methylphenyl)ethanone

C141H132F3N21O6S3 — CID 159034275

About 1-(4-aminophenyl)-2-[3-[4-(cyclopropylamino)thieno[3,2-d]pyrimidin-2-yl]phenyl]ethanone;2-[3-[4-(cyclopropylamino)thieno[3,2-d]pyrimidin-2-yl]phenyl]-1-(3-methylphenyl)ethanone;2-[3-[(3-cyclopropyl-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[(3-cyclopropyl-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]-4-methylphenyl]-1-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;2-[3-[4-[4-(dimethylamino)cyclohexyl]thieno[3,2-d]pyrimidin-2-yl]phenyl]-1-(3-methylphenyl)ethanone

1-(4-aminophenyl)-2-[3-[4-(cyclopropylamino)thieno[3,2-d]pyrimidin-2-yl]phenyl]ethanone;2-[3-[4-(cyclopropylamino)thieno[3,2-d]pyrimidin-2-yl]phenyl]-1-(3-methylphenyl)ethanone;2-[3-[(3-cyclopropyl-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[(3-cyclopropyl-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]-4-methylphenyl]-1-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;2-[3-[4-[4-(dimethylamino)cyclohexyl]thieno[3,2-d]pyrimidin-2-yl]phenyl]-1-(3-methylphenyl)ethanone (PubChem CID 159034275) has the molecular formula C141H132F3N21O6S3 and a molecular weight of 2369.94 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-[3-[4-(cyclopropylamino)thieno[3,2-d]pyrimidin-2-yl]phenyl]ethanone;2-[3-[4-(cyclopropylamino)thieno[3,2-d]pyrimidin-2-yl]phenyl]-1-(3-methylphenyl)ethanone;2-[3-[(3-cyclopropyl-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[(3-cyclopropyl-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]-4-methylphenyl]-1-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;2-[3-[4-[4-(dimethylamino)cyclohexyl]thieno[3,2-d]pyrimidin-2-yl]phenyl]-1-(3-methylphenyl)ethanone.

Molecular Properties

• Compound Name: 1-(4-aminophenyl)-2-[3-[4-(cyclopropylamino)thieno[3,2-d]pyrimidin-2-yl]phenyl]ethanone;2-[3-[4-(cyclopropylamino)thieno[3,2-d]pyrimidin-2-yl]phenyl]-1-(3-methylphenyl)ethanone;2-[3-[(3-cyclopropyl-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[(3-cyclopropyl-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]-4-methylphenyl]-1-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;2-[3-[4-[4-(dimethylamino)cyclohexyl]thieno[3,2-d]pyrimidin-2-yl]phenyl]-1-(3-methylphenyl)ethanone
• PubChem CID: 159034275
• Molecular Formula: C141H132F3N21O6S3
• Molecular Weight: 2369.94 g/mol
• Exact Mass: 2367.98
• IUPAC Name: 1-(4-aminophenyl)-2-[3-[4-(cyclopropylamino)thieno[3,2-d]pyrimidin-2-yl]phenyl]ethanone;2-[3-[4-(cyclopropylamino)thieno[3,2-d]pyrimidin-2-yl]phenyl]-1-(3-methylphenyl)ethanone;2-[3-[(3-cyclopropyl-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[(3-cyclopropyl-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]-4-methylphenyl]-1-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;2-[3-[4-[4-(dimethylamino)cyclohexyl]thieno[3,2-d]pyrimidin-2-yl]phenyl]-1-(3-methylphenyl)ethanone
• SMILES: Cc1ccc(CC(=O)c2ccc(CN3CCOCC3)c(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)cn2c(C3CC3)cnc12.Cc1cccc(C(=O)Cc2ccc(C)c(Nc3nc(-c4cccnc4)cn4c(C5CC5)cnc34)c2)c1.Cc1cccc(C(=O)Cc2cccc(-c3nc(C4CCC(N(C)C)CC4)c4sccc4n3)c2)c1.Cc1cccc(C(=O)Cc2cccc(-c3nc(NC4CC4)c4sccc4n3)c2)c1.Nc1ccc(C(=O)Cc2cccc(-c3nc(NC4CC4)c4sccc4n3)c2)cc1
• InChI: InChI=1S/C35H33F3N6O2.C30H27N5O.C29H31N3OS.C24H21N3OS.C23H20N4OS/c1-22-4-5-23(16-32(45)25-8-9-27(28(17-25)35(36,37)38)20-43-11-13-46-14-12-43)15-29(22)41-33-34-40-19-31(24-6-7-24)44(34)21-30(42-33)26-3-2-10-39-18-26;1-19-5-3-6-23(13-19)28(36)15-21-9-8-20(2)25(14-21)33-29-30-32-17-27(22-10-11-22)35(30)18-26(34-29)24-7-4-12-31-16-24;1-19-6-4-8-22(16-19)26(33)18-20-7-5-9-23(17-20)29-30-25-14-15-34-28(25)27(31-29)21-10-12-24(13-11-21)32(2)3;1-15-4-2-6-17(12-15)21(28)14-16-5-3-7-18(13-16)23-26-20-10-11-29-22(20)24(27-23)25-19-8-9-19;24-17-6-4-15(5-7-17)20(28)13-14-2-1-3-16(12-14)22-26-19-10-11-29-21(19)23(27-22)25-18-8-9-18/h2-5,8-10,15,17-19,21,24H,6-7,11-14,16,20H2,1H3,(H,41,42);3-9,12-14,16-18,22H,10-11,15H2,1-2H3,(H,33,34);4-9,14-17,21,24H,10-13,18H2,1-3H3;2-7,10-13,19H,8-9,14H2,1H3,(H,25,26,27);1-7,10-12,18H,8-9,13,24H2,(H,25,26,27)
• InChIKey: JVGLGDOMRGKGMR-UHFFFAOYSA-N
• XLogP: 30.74
• TPSA: 338.70 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 30
• Rotatable Bonds: 34
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2369.94
LogP ≤ 5	30.74
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-2-[3-[4-(cyclopropylamino)thieno[3,2-d]pyrimidin-2-yl]phenyl]ethanone;2-[3-[4-(cyclopropylamino)thieno[3,2-d]pyrimidin-2-yl]phenyl]-1-(3-methylphenyl)ethanone;2-[3-[(3-cyclopropyl-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[(3-cyclopropyl-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]-4-methylphenyl]-1-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;2-[3-[4-[4-(dimethylamino)cyclohexyl]thieno[3,2-d]pyrimidin-2-yl]phenyl]-1-(3-methylphenyl)ethanone?

The IUPAC name of 1-(4-aminophenyl)-2-[3-[4-(cyclopropylamino)thieno[3,2-d]pyrimidin-2-yl]phenyl]ethanone;2-[3-[4-(cyclopropylamino)thieno[3,2-d]pyrimidin-2-yl]phenyl]-1-(3-methylphenyl)ethanone;2-[3-[(3-cyclopropyl-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[(3-cyclopropyl-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]-4-methylphenyl]-1-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;2-[3-[4-[4-(dimethylamino)cyclohexyl]thieno[3,2-d]pyrimidin-2-yl]phenyl]-1-(3-methylphenyl)ethanone (CID 159034275) is 1-(4-aminophenyl)-2-[3-[4-(cyclopropylamino)thieno[3,2-d]pyrimidin-2-yl]phenyl]ethanone;2-[3-[4-(cyclopropylamino)thieno[3,2-d]pyrimidin-2-yl]phenyl]-1-(3-methylphenyl)ethanone;2-[3-[(3-cyclopropyl-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[(3-cyclopropyl-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]-4-methylphenyl]-1-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;2-[3-[4-[4-(dimethylamino)cyclohexyl]thieno[3,2-d]pyrimidin-2-yl]phenyl]-1-(3-methylphenyl)ethanone.

What is the SMILES notation for 1-(4-aminophenyl)-2-[3-[4-(cyclopropylamino)thieno[3,2-d]pyrimidin-2-yl]phenyl]ethanone;2-[3-[4-(cyclopropylamino)thieno[3,2-d]pyrimidin-2-yl]phenyl]-1-(3-methylphenyl)ethanone;2-[3-[(3-cyclopropyl-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[(3-cyclopropyl-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]-4-methylphenyl]-1-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;2-[3-[4-[4-(dimethylamino)cyclohexyl]thieno[3,2-d]pyrimidin-2-yl]phenyl]-1-(3-methylphenyl)ethanone?

The canonical SMILES for 1-(4-aminophenyl)-2-[3-[4-(cyclopropylamino)thieno[3,2-d]pyrimidin-2-yl]phenyl]ethanone;2-[3-[4-(cyclopropylamino)thieno[3,2-d]pyrimidin-2-yl]phenyl]-1-(3-methylphenyl)ethanone;2-[3-[(3-cyclopropyl-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[(3-cyclopropyl-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]-4-methylphenyl]-1-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;2-[3-[4-[4-(dimethylamino)cyclohexyl]thieno[3,2-d]pyrimidin-2-yl]phenyl]-1-(3-methylphenyl)ethanone is Cc1ccc(CC(=O)c2ccc(CN3CCOCC3)c(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)cn2c(C3CC3)cnc12.Cc1cccc(C(=O)Cc2ccc(C)c(Nc3nc(-c4cccnc4)cn4c(C5CC5)cnc34)c2)c1.Cc1cccc(C(=O)Cc2cccc(-c3nc(C4CCC(N(C)C)CC4)c4sccc4n3)c2)c1.Cc1cccc(C(=O)Cc2cccc(-c3nc(NC4CC4)c4sccc4n3)c2)c1.Nc1ccc(C(=O)Cc2cccc(-c3nc(NC4CC4)c4sccc4n3)c2)cc1.

What is the InChIKey of 1-(4-aminophenyl)-2-[3-[4-(cyclopropylamino)thieno[3,2-d]pyrimidin-2-yl]phenyl]ethanone;2-[3-[4-(cyclopropylamino)thieno[3,2-d]pyrimidin-2-yl]phenyl]-1-(3-methylphenyl)ethanone;2-[3-[(3-cyclopropyl-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[(3-cyclopropyl-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]-4-methylphenyl]-1-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;2-[3-[4-[4-(dimethylamino)cyclohexyl]thieno[3,2-d]pyrimidin-2-yl]phenyl]-1-(3-methylphenyl)ethanone?

The InChIKey is JVGLGDOMRGKGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33F3N6O2.C30H27N5O.C29H31N3OS.C24H21N3OS.C23H20N4OS/c1-22-4-5-23(16-32(45)25-8-9-27(28(17-25)35(36,37)38)20-43-11-13-46-14-12-43)15-29(22)41-33-34-40-19-31(24-6-7-24)44(34)21-30(42-33)26-3-2-10-39-18-26;1-19-5-3-6-23(13-19)28(36)15-21-9-8-20(2)25(14-21)33-29-30-32-17-27(22-10-11-22)35(30)18-26(34-29)24-7-4-12-31-16-24;1-19-6-4-8-22(16-19)26(33)18-20-7-5-9-23(17-20)29-30-25-14-15-34-28(25)27(31-29)21-10-12-24(13-11-21)32(2)3;1-15-4-2-6-17(12-15)21(28)14-16-5-3-7-18(13-16)23-26-20-10-11-29-22(20)24(27-23)25-19-8-9-19;24-17-6-4-15(5-7-17)20(28)13-14-2-1-3-16(12-14)22-26-19-10-11-29-21(19)23(27-22)25-18-8-9-18/h2-5,8-10,15,17-19,21,24H,6-7,11-14,16,20H2,1H3,(H,41,42);3-9,12-14,16-18,22H,10-11,15H2,1-2H3,(H,33,34);4-9,14-17,21,24H,10-13,18H2,1-3H3;2-7,10-13,19H,8-9,14H2,1H3,(H,25,26,27);1-7,10-12,18H,8-9,13,24H2,(H,25,26,27).

What are the key properties of 1-(4-aminophenyl)-2-[3-[4-(cyclopropylamino)thieno[3,2-d]pyrimidin-2-yl]phenyl]ethanone;2-[3-[4-(cyclopropylamino)thieno[3,2-d]pyrimidin-2-yl]phenyl]-1-(3-methylphenyl)ethanone;2-[3-[(3-cyclopropyl-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[(3-cyclopropyl-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]-4-methylphenyl]-1-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;2-[3-[4-[4-(dimethylamino)cyclohexyl]thieno[3,2-d]pyrimidin-2-yl]phenyl]-1-(3-methylphenyl)ethanone?

1-(4-aminophenyl)-2-[3-[4-(cyclopropylamino)thieno[3,2-d]pyrimidin-2-yl]phenyl]ethanone;2-[3-[4-(cyclopropylamino)thieno[3,2-d]pyrimidin-2-yl]phenyl]-1-(3-methylphenyl)ethanone;2-[3-[(3-cyclopropyl-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[(3-cyclopropyl-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]-4-methylphenyl]-1-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;2-[3-[4-[4-(dimethylamino)cyclohexyl]thieno[3,2-d]pyrimidin-2-yl]phenyl]-1-(3-methylphenyl)ethanone has a molecular weight of 2369.94 g/mol, XLogP of 30.74, 34 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-aminophenyl)-2-[3-[4-(cyclopropylamino)thieno[3,2-d]pyrimidin-2-yl]phenyl]ethanone;2-[3-[4-(cyclopropylamino)thieno[3,2-d]pyrimidin-2-yl]phenyl]-1-(3-methylphenyl)ethanone;2-[3-[(3-cyclopropyl-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[(3-cyclopropyl-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]-4-methylphenyl]-1-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;2-[3-[4-[4-(dimethylamino)cyclohexyl]thieno[3,2-d]pyrimidin-2-yl]phenyl]-1-(3-methylphenyl)ethanone is sourced from PubChem (CID 159034275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).