2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;3-imidazol-1-yl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-3-pyrimidin-5-ylpropanamide

C78H60N22O4S4 — CID 160881694

About 2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;3-imidazol-1-yl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-3-pyrimidin-5-ylpropanamide

2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;3-imidazol-1-yl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-3-pyrimidin-5-ylpropanamide (PubChem CID 160881694) has the molecular formula C78H60N22O4S4 and a molecular weight of 1497.76 g/mol. Its IUPAC name is 2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;3-imidazol-1-yl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-3-pyrimidin-5-ylpropanamide.

Molecular Properties

• Compound Name: 2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;3-imidazol-1-yl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-3-pyrimidin-5-ylpropanamide
• PubChem CID: 160881694
• Molecular Formula: C78H60N22O4S4
• Molecular Weight: 1497.76 g/mol
• Exact Mass: 1496.41
• IUPAC Name: 2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;3-imidazol-1-yl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-3-pyrimidin-5-ylpropanamide
• SMILES: CC(C(=O)Nc1nc(-c2ccccn2)nc2sccc12)c1ccc(C#N)cc1.CC(C)(C(=O)Nc1nc(-c2ccccn2)nc2sccc12)c1ccc(C#N)cc1.O=C(CCc1cncnc1)Nc1nc(-c2ccccn2)nc2sccc12.O=C(CCn1ccnc1)Nc1nc(-c2ccccn2)nc2sccc12
• InChI: InChI=1S/C22H17N5OS.C21H15N5OS.C18H14N6OS.C17H14N6OS/c1-22(2,15-8-6-14(13-23)7-9-15)21(28)27-18-16-10-12-29-20(16)26-19(25-18)17-5-3-4-11-24-17;1-13(15-7-5-14(12-22)6-8-15)20(27)25-18-16-9-11-28-21(16)26-19(24-18)17-4-2-3-10-23-17;25-15(5-4-12-9-19-11-20-10-12)22-16-13-6-8-26-18(13)24-17(23-16)14-3-1-2-7-21-14;24-14(4-8-23-9-7-18-11-23)20-15-12-5-10-25-17(12)22-16(21-15)13-3-1-2-6-19-13/h3-12H,1-2H3,(H,25,26,27,28);2-11,13H,1H3,(H,24,25,26,27);1-3,6-11H,4-5H2,(H,22,23,24,25);1-3,5-7,9-11H,4,8H2,(H,20,21,22,24)
• InChIKey: SNCRDIXMSQNBHK-UHFFFAOYSA-N
• XLogP: 15.00
• TPSA: 362.26 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 18
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1497.76
LogP ≤ 5	15.00
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;3-imidazol-1-yl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-3-pyrimidin-5-ylpropanamide?

The IUPAC name of 2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;3-imidazol-1-yl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-3-pyrimidin-5-ylpropanamide (CID 160881694) is 2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;3-imidazol-1-yl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-3-pyrimidin-5-ylpropanamide.

What is the SMILES notation for 2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;3-imidazol-1-yl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-3-pyrimidin-5-ylpropanamide?

The canonical SMILES for 2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;3-imidazol-1-yl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-3-pyrimidin-5-ylpropanamide is CC(C(=O)Nc1nc(-c2ccccn2)nc2sccc12)c1ccc(C#N)cc1.CC(C)(C(=O)Nc1nc(-c2ccccn2)nc2sccc12)c1ccc(C#N)cc1.O=C(CCc1cncnc1)Nc1nc(-c2ccccn2)nc2sccc12.O=C(CCn1ccnc1)Nc1nc(-c2ccccn2)nc2sccc12.

What is the InChIKey of 2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;3-imidazol-1-yl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-3-pyrimidin-5-ylpropanamide?

The InChIKey is SNCRDIXMSQNBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5OS.C21H15N5OS.C18H14N6OS.C17H14N6OS/c1-22(2,15-8-6-14(13-23)7-9-15)21(28)27-18-16-10-12-29-20(16)26-19(25-18)17-5-3-4-11-24-17;1-13(15-7-5-14(12-22)6-8-15)20(27)25-18-16-9-11-28-21(16)26-19(24-18)17-4-2-3-10-23-17;25-15(5-4-12-9-19-11-20-10-12)22-16-13-6-8-26-18(13)24-17(23-16)14-3-1-2-7-21-14;24-14(4-8-23-9-7-18-11-23)20-15-12-5-10-25-17(12)22-16(21-15)13-3-1-2-6-19-13/h3-12H,1-2H3,(H,25,26,27,28);2-11,13H,1H3,(H,24,25,26,27);1-3,6-11H,4-5H2,(H,22,23,24,25);1-3,5-7,9-11H,4,8H2,(H,20,21,22,24).

What are the key properties of 2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;3-imidazol-1-yl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-3-pyrimidin-5-ylpropanamide?

2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;3-imidazol-1-yl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-3-pyrimidin-5-ylpropanamide has a molecular weight of 1497.76 g/mol, XLogP of 15.00, 18 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;3-imidazol-1-yl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-3-pyrimidin-5-ylpropanamide is sourced from PubChem (CID 160881694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).