2-N-(1-benzylpiperidin-4-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-(4-butan-2-ylphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-(3,5-dimethylpyrazol-1-yl)-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidin-4-amine;4-N-(1H-indazol-5-yl)-2-N-(2-phenoxyethyl)thieno[3,2-d]pyrimidine-2,4-diamine

C87H80N26OS4 — CID 159376855

About 2-N-(1-benzylpiperidin-4-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-(4-butan-2-ylphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-(3,5-dimethylpyrazol-1-yl)-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidin-4-amine;4-N-(1H-indazol-5-yl)-2-N-(2-phenoxyethyl)thieno[3,2-d]pyrimidine-2,4-diamine

2-N-(1-benzylpiperidin-4-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-(4-butan-2-ylphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-(3,5-dimethylpyrazol-1-yl)-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidin-4-amine;4-N-(1H-indazol-5-yl)-2-N-(2-phenoxyethyl)thieno[3,2-d]pyrimidine-2,4-diamine (PubChem CID 159376855) has the molecular formula C87H80N26OS4 and a molecular weight of 1634.05 g/mol. Its IUPAC name is 2-N-(1-benzylpiperidin-4-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-(4-butan-2-ylphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-(3,5-dimethylpyrazol-1-yl)-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidin-4-amine;4-N-(1H-indazol-5-yl)-2-N-(2-phenoxyethyl)thieno[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 2-N-(1-benzylpiperidin-4-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-(4-butan-2-ylphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-(3,5-dimethylpyrazol-1-yl)-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidin-4-amine;4-N-(1H-indazol-5-yl)-2-N-(2-phenoxyethyl)thieno[3,2-d]pyrimidine-2,4-diamine
• PubChem CID: 159376855
• Molecular Formula: C87H80N26OS4
• Molecular Weight: 1634.05 g/mol
• Exact Mass: 1632.59
• IUPAC Name: 2-N-(1-benzylpiperidin-4-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-(4-butan-2-ylphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-(3,5-dimethylpyrazol-1-yl)-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidin-4-amine;4-N-(1H-indazol-5-yl)-2-N-(2-phenoxyethyl)thieno[3,2-d]pyrimidine-2,4-diamine
• SMILES: CCC(C)c1ccc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)cc1.Cc1cc(C)n(-c2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)n1.c1ccc(CN2CCC(Nc3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)CC2)cc1.c1ccc(OCCNc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)cc1
• InChI: InChI=1S/C25H25N7S.C23H22N6S.C21H18N6OS.C18H15N7S/c1-2-4-17(5-3-1)16-32-11-8-19(9-12-32)28-25-29-22-10-13-33-23(22)24(30-25)27-20-6-7-21-18(14-20)15-26-31-21;1-3-14(2)15-4-6-17(7-5-15)26-23-27-20-10-11-30-21(20)22(28-23)25-18-8-9-19-16(12-18)13-24-29-19;1-2-4-16(5-3-1)28-10-9-22-21-25-18-8-11-29-19(18)20(26-21)24-15-6-7-17-14(12-15)13-23-27-17;1-10-7-11(2)25(24-10)18-21-15-5-6-26-16(15)17(22-18)20-13-3-4-14-12(8-13)9-19-23-14/h1-7,10,13-15,19H,8-9,11-12,16H2,(H,26,31)(H2,27,28,29,30);4-14H,3H2,1-2H3,(H,24,29)(H2,25,26,27,28);1-8,11-13H,9-10H2,(H,23,27)(H2,22,24,25,26);3-9H,1-2H3,(H,19,23)(H,20,21,22)
• InChIKey: LKKUITXFFZNQIC-UHFFFAOYSA-N
• XLogP: 20.87
• TPSA: 332.34 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 27
• Rotatable Bonds: 22
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1634.05
LogP ≤ 5	20.87
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-benzylpiperidin-4-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-(4-butan-2-ylphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-(3,5-dimethylpyrazol-1-yl)-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidin-4-amine;4-N-(1H-indazol-5-yl)-2-N-(2-phenoxyethyl)thieno[3,2-d]pyrimidine-2,4-diamine?

The IUPAC name of 2-N-(1-benzylpiperidin-4-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-(4-butan-2-ylphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-(3,5-dimethylpyrazol-1-yl)-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidin-4-amine;4-N-(1H-indazol-5-yl)-2-N-(2-phenoxyethyl)thieno[3,2-d]pyrimidine-2,4-diamine (CID 159376855) is 2-N-(1-benzylpiperidin-4-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-(4-butan-2-ylphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-(3,5-dimethylpyrazol-1-yl)-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidin-4-amine;4-N-(1H-indazol-5-yl)-2-N-(2-phenoxyethyl)thieno[3,2-d]pyrimidine-2,4-diamine.

What is the SMILES notation for 2-N-(1-benzylpiperidin-4-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-(4-butan-2-ylphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-(3,5-dimethylpyrazol-1-yl)-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidin-4-amine;4-N-(1H-indazol-5-yl)-2-N-(2-phenoxyethyl)thieno[3,2-d]pyrimidine-2,4-diamine?

The canonical SMILES for 2-N-(1-benzylpiperidin-4-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-(4-butan-2-ylphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-(3,5-dimethylpyrazol-1-yl)-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidin-4-amine;4-N-(1H-indazol-5-yl)-2-N-(2-phenoxyethyl)thieno[3,2-d]pyrimidine-2,4-diamine is CCC(C)c1ccc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)cc1.Cc1cc(C)n(-c2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)n1.c1ccc(CN2CCC(Nc3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)CC2)cc1.c1ccc(OCCNc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)cc1.

What is the InChIKey of 2-N-(1-benzylpiperidin-4-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-(4-butan-2-ylphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-(3,5-dimethylpyrazol-1-yl)-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidin-4-amine;4-N-(1H-indazol-5-yl)-2-N-(2-phenoxyethyl)thieno[3,2-d]pyrimidine-2,4-diamine?

The InChIKey is LKKUITXFFZNQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7S.C23H22N6S.C21H18N6OS.C18H15N7S/c1-2-4-17(5-3-1)16-32-11-8-19(9-12-32)28-25-29-22-10-13-33-23(22)24(30-25)27-20-6-7-21-18(14-20)15-26-31-21;1-3-14(2)15-4-6-17(7-5-15)26-23-27-20-10-11-30-21(20)22(28-23)25-18-8-9-19-16(12-18)13-24-29-19;1-2-4-16(5-3-1)28-10-9-22-21-25-18-8-11-29-19(18)20(26-21)24-15-6-7-17-14(12-15)13-23-27-17;1-10-7-11(2)25(24-10)18-21-15-5-6-26-16(15)17(22-18)20-13-3-4-14-12(8-13)9-19-23-14/h1-7,10,13-15,19H,8-9,11-12,16H2,(H,26,31)(H2,27,28,29,30);4-14H,3H2,1-2H3,(H,24,29)(H2,25,26,27,28);1-8,11-13H,9-10H2,(H,23,27)(H2,22,24,25,26);3-9H,1-2H3,(H,19,23)(H,20,21,22).

What are the key properties of 2-N-(1-benzylpiperidin-4-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-(4-butan-2-ylphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-(3,5-dimethylpyrazol-1-yl)-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidin-4-amine;4-N-(1H-indazol-5-yl)-2-N-(2-phenoxyethyl)thieno[3,2-d]pyrimidine-2,4-diamine?

2-N-(1-benzylpiperidin-4-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-(4-butan-2-ylphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-(3,5-dimethylpyrazol-1-yl)-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidin-4-amine;4-N-(1H-indazol-5-yl)-2-N-(2-phenoxyethyl)thieno[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 1634.05 g/mol, XLogP of 20.87, 22 rotatable bonds, 11 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-(1-benzylpiperidin-4-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-(4-butan-2-ylphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-(3,5-dimethylpyrazol-1-yl)-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidin-4-amine;4-N-(1H-indazol-5-yl)-2-N-(2-phenoxyethyl)thieno[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 159376855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).