2-N-(3,4-dimethoxyphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[3-(dimethylamino)phenyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;5-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-2-methoxyphenol;4-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]phenol

C81H67N25O5S4 — CID 158268290

About 2-N-(3,4-dimethoxyphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[3-(dimethylamino)phenyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;5-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-2-methoxyphenol;4-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]phenol

2-N-(3,4-dimethoxyphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[3-(dimethylamino)phenyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;5-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-2-methoxyphenol;4-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]phenol (PubChem CID 158268290) has the molecular formula C81H67N25O5S4 and a molecular weight of 1598.86 g/mol. Its IUPAC name is 2-N-(3,4-dimethoxyphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[3-(dimethylamino)phenyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;5-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-2-methoxyphenol;4-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]phenol.

Molecular Properties

• Compound Name: 2-N-(3,4-dimethoxyphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[3-(dimethylamino)phenyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;5-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-2-methoxyphenol;4-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]phenol
• PubChem CID: 158268290
• Molecular Formula: C81H67N25O5S4
• Molecular Weight: 1598.86 g/mol
• Exact Mass: 1597.46
• IUPAC Name: 2-N-(3,4-dimethoxyphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[3-(dimethylamino)phenyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;5-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-2-methoxyphenol;4-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]phenol
• SMILES: CN(C)c1cccc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)c1.COc1ccc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)cc1O.COc1ccc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)cc1OC.Oc1ccc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)cc1
• InChI: InChI=1S/C21H19N7S.C21H18N6O2S.C20H16N6O2S.C19H14N6OS/c1-28(2)16-5-3-4-14(11-16)24-21-25-18-8-9-29-19(18)20(26-21)23-15-6-7-17-13(10-15)12-22-27-17;1-28-17-6-4-14(10-18(17)29-2)24-21-25-16-7-8-30-19(16)20(26-21)23-13-3-5-15-12(9-13)11-22-27-15;1-28-17-5-3-13(9-16(17)27)23-20-24-15-6-7-29-18(15)19(25-20)22-12-2-4-14-11(8-12)10-21-26-14;26-14-4-1-12(2-5-14)22-19-23-16-7-8-27-17(16)18(24-19)21-13-3-6-15-11(9-13)10-20-25-15/h3-12H,1-2H3,(H,22,27)(H2,23,24,25,26);3-11H,1-2H3,(H,22,27)(H2,23,24,25,26);2-10,27H,1H3,(H,21,26)(H2,22,23,24,25);1-10,26H,(H,20,25)(H2,21,22,23,24)
• InChIKey: GISMFWNFKKFMPL-UHFFFAOYSA-N
• XLogP: 19.72
• TPSA: 385.47 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 30
• Rotatable Bonds: 20
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1598.86
LogP ≤ 5	19.72
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,4-dimethoxyphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[3-(dimethylamino)phenyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;5-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-2-methoxyphenol;4-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]phenol?

The IUPAC name of 2-N-(3,4-dimethoxyphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[3-(dimethylamino)phenyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;5-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-2-methoxyphenol;4-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]phenol (CID 158268290) is 2-N-(3,4-dimethoxyphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[3-(dimethylamino)phenyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;5-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-2-methoxyphenol;4-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]phenol.

What is the SMILES notation for 2-N-(3,4-dimethoxyphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[3-(dimethylamino)phenyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;5-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-2-methoxyphenol;4-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]phenol?

The canonical SMILES for 2-N-(3,4-dimethoxyphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[3-(dimethylamino)phenyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;5-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-2-methoxyphenol;4-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]phenol is CN(C)c1cccc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)c1.COc1ccc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)cc1O.COc1ccc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)cc1OC.Oc1ccc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)cc1.

What is the InChIKey of 2-N-(3,4-dimethoxyphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[3-(dimethylamino)phenyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;5-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-2-methoxyphenol;4-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]phenol?

The InChIKey is GISMFWNFKKFMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7S.C21H18N6O2S.C20H16N6O2S.C19H14N6OS/c1-28(2)16-5-3-4-14(11-16)24-21-25-18-8-9-29-19(18)20(26-21)23-15-6-7-17-13(10-15)12-22-27-17;1-28-17-6-4-14(10-18(17)29-2)24-21-25-16-7-8-30-19(16)20(26-21)23-13-3-5-15-12(9-13)11-22-27-15;1-28-17-5-3-13(9-16(17)27)23-20-24-15-6-7-29-18(15)19(25-20)22-12-2-4-14-11(8-12)10-21-26-14;26-14-4-1-12(2-5-14)22-19-23-16-7-8-27-17(16)18(24-19)21-13-3-6-15-11(9-13)10-20-25-15/h3-12H,1-2H3,(H,22,27)(H2,23,24,25,26);3-11H,1-2H3,(H,22,27)(H2,23,24,25,26);2-10,27H,1H3,(H,21,26)(H2,22,23,24,25);1-10,26H,(H,20,25)(H2,21,22,23,24).

What are the key properties of 2-N-(3,4-dimethoxyphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[3-(dimethylamino)phenyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;5-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-2-methoxyphenol;4-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]phenol?

2-N-(3,4-dimethoxyphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[3-(dimethylamino)phenyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;5-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-2-methoxyphenol;4-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]phenol has a molecular weight of 1598.86 g/mol, XLogP of 19.72, 20 rotatable bonds, 14 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-(3,4-dimethoxyphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[3-(dimethylamino)phenyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;5-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-2-methoxyphenol;4-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]phenol is sourced from PubChem (CID 158268290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).