2-N-(4-bromophenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-(3,4-dihydro-1H-isoquinolin-2-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

C83H64BrN25O2S5 — CID 157386960

About 2-N-(4-bromophenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-(3,4-dihydro-1H-isoquinolin-2-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-bromophenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-(3,4-dihydro-1H-isoquinolin-2-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 157386960) has the molecular formula C83H64BrN25O2S5 and a molecular weight of 1683.84 g/mol. Its IUPAC name is 2-N-(4-bromophenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-(3,4-dihydro-1H-isoquinolin-2-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-bromophenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-(3,4-dihydro-1H-isoquinolin-2-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: 157386960
• Molecular Formula: C83H64BrN25O2S5
• Molecular Weight: 1683.84 g/mol
• Exact Mass: 1681.35
• IUPAC Name: 2-N-(4-bromophenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-(3,4-dihydro-1H-isoquinolin-2-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: Brc1ccc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)cc1.COc1ccc2nc(Nc3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)sc2c1.c1ccc(OCCNc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)cc1.c1ccc2c(c1)CCN(c1nc(Nc3ccc4[nH]ncc4c3)c3sccc3n1)C2
• InChI: InChI=1S/C22H18N6S.C21H15N7OS2.C21H18N6OS.C19H13BrN6S/c1-2-4-15-13-28(9-7-14(15)3-1)22-25-19-8-10-29-20(19)21(26-22)24-17-5-6-18-16(11-17)12-23-27-18;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;20-12-1-3-13(4-2-12)23-19-24-16-7-8-27-17(16)18(25-19)22-14-5-6-15-11(9-14)10-21-26-15/h1-6,8,10-12H,7,9,13H2,(H,23,27)(H,24,25,26);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);1-10H,(H,21,26)(H2,22,23,24,25)
• InChIKey: BLNXXZBPLZVGLY-UHFFFAOYSA-N
• XLogP: 21.17
• TPSA: 336.64 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 28
• Rotatable Bonds: 19
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1683.84
LogP ≤ 5	21.17
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	28

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-bromophenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-(3,4-dihydro-1H-isoquinolin-2-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-bromophenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-(3,4-dihydro-1H-isoquinolin-2-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 157386960) is 2-N-(4-bromophenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-(3,4-dihydro-1H-isoquinolin-2-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-bromophenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-(3,4-dihydro-1H-isoquinolin-2-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-bromophenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-(3,4-dihydro-1H-isoquinolin-2-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 Brc1ccc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)cc1.COc1ccc2nc(Nc3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)sc2c1.c1ccc(OCCNc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)cc1.c1ccc2c(c1)CCN(c1nc(Nc3ccc4[nH]ncc4c3)c3sccc3n1)C2.

What is the InChIKey of 2-N-(4-bromophenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-(3,4-dihydro-1H-isoquinolin-2-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 BLNXXZBPLZVGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6S.C21H15N7OS2.C21H18N6OS.C19H13BrN6S/c1-2-4-15-13-28(9-7-14(15)3-1)22-25-19-8-10-29-20(19)21(26-22)24-17-5-6-18-16(11-17)12-23-27-18;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;20-12-1-3-13(4-2-12)23-19-24-16-7-8-27-17(16)18(25-19)22-14-5-6-15-11(9-14)10-21-26-15/h1-6,8,10-12H,7,9,13H2,(H,23,27)(H,24,25,26);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);1-10H,(H,21,26)(H2,22,23,24,25).

What are the key properties of 2-N-(4-bromophenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-(3,4-dihydro-1H-isoquinolin-2-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-bromophenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-(3,4-dihydro-1H-isoquinolin-2-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 1683.84 g/mol, XLogP of 21.17, 19 rotatable bonds, 11 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-(4-bromophenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-(3,4-dihydro-1H-isoquinolin-2-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 157386960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).