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-(6-methoxy-1,3-benzothiazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(2-phenoxyethyl)thieno[3,2-d]pyrimidine-2,4-diamine

C83H70N26O2S5 — CID 162173098

About 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-(6-methoxy-1,3-benzothiazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(2-phenoxyethyl)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-(6-methoxy-1,3-benzothiazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(2-phenoxyethyl)thieno[3,2-d]pyrimidine-2,4-diamine (PubChem CID 162173098) has the molecular formula C83H70N26O2S5 and a molecular weight of 1623.99 g/mol. Its IUPAC name is 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-(6-methoxy-1,3-benzothiazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(2-phenoxyethyl)thieno[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 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-(6-methoxy-1,3-benzothiazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(2-phenoxyethyl)thieno[3,2-d]pyrimidine-2,4-diamine
• PubChem CID: 162173098
• Molecular Formula: C83H70N26O2S5
• Molecular Weight: 1623.99 g/mol
• Exact Mass: 1622.48
• IUPAC Name: 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-(6-methoxy-1,3-benzothiazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine;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.COc1ccc2nc(Nc3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)sc2c1.Cc1cc(C)n(-c2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)n1.c1ccc(OCCNc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)cc1
• InChI: InChI=1S/C23H22N6S.C21H15N7OS2.C21H18N6OS.C18H15N7S/c1-3-14(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;1-29-13-3-5-15-17(9-13)31-21(25-15)27-20-24-16-6-7-30-18(16)19(26-20)23-12-2-4-14-11(8-12)10-22-28-14;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/h4-14H,3H2,1-2H3,(H,24,29)(H2,25,26,27,28);2-10H,1H3,(H,22,28)(H2,23,24,25,26,27);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: ZOAVMURARHNLRU-UHFFFAOYSA-N
• XLogP: 21.16
• TPSA: 351.22 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 29
• Rotatable Bonds: 21
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1623.99
LogP ≤ 5	21.16
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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-(6-methoxy-1,3-benzothiazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(2-phenoxyethyl)thieno[3,2-d]pyrimidine-2,4-diamine?

The IUPAC name of 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-(6-methoxy-1,3-benzothiazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(2-phenoxyethyl)thieno[3,2-d]pyrimidine-2,4-diamine (CID 162173098) is 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-(6-methoxy-1,3-benzothiazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine;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-(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-(6-methoxy-1,3-benzothiazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(2-phenoxyethyl)thieno[3,2-d]pyrimidine-2,4-diamine?

The canonical SMILES for 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-(6-methoxy-1,3-benzothiazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine;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.COc1ccc2nc(Nc3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)sc2c1.Cc1cc(C)n(-c2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)n1.c1ccc(OCCNc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)cc1.

What is the InChIKey of 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-(6-methoxy-1,3-benzothiazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(2-phenoxyethyl)thieno[3,2-d]pyrimidine-2,4-diamine?

The InChIKey is ZOAVMURARHNLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6S.C21H15N7OS2.C21H18N6OS.C18H15N7S/c1-3-14(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;1-29-13-3-5-15-17(9-13)31-21(25-15)27-20-24-16-6-7-30-18(16)19(26-20)23-12-2-4-14-11(8-12)10-22-28-14;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/h4-14H,3H2,1-2H3,(H,24,29)(H2,25,26,27,28);2-10H,1H3,(H,22,28)(H2,23,24,25,26,27);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-(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-(6-methoxy-1,3-benzothiazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(2-phenoxyethyl)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-(6-methoxy-1,3-benzothiazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(2-phenoxyethyl)thieno[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 1623.99 g/mol, XLogP of 21.16, 21 rotatable bonds, 11 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 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-(6-methoxy-1,3-benzothiazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(2-phenoxyethyl)thieno[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 162173098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).