2-N-(3-chloro-4-morpholin-4-ylphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-methoxy-5-phenylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-methylsulfanyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine

C71H56ClN23O2S4 — CID 161360594

About 2-N-(3-chloro-4-morpholin-4-ylphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-methoxy-5-phenylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-methylsulfanyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine

2-N-(3-chloro-4-morpholin-4-ylphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-methoxy-5-phenylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-methylsulfanyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine (PubChem CID 161360594) has the molecular formula C71H56ClN23O2S4 and a molecular weight of 1427.11 g/mol. Its IUPAC name is 2-N-(3-chloro-4-morpholin-4-ylphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-methoxy-5-phenylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-methylsulfanyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 2-N-(3-chloro-4-morpholin-4-ylphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-methoxy-5-phenylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-methylsulfanyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine
• PubChem CID: 161360594
• Molecular Formula: C71H56ClN23O2S4
• Molecular Weight: 1427.11 g/mol
• Exact Mass: 1425.36
• IUPAC Name: 2-N-(3-chloro-4-morpholin-4-ylphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-methoxy-5-phenylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-methylsulfanyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine
• SMILES: COc1cc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)cc(-c2ccccc2)c1.CSc1nc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)nc(-c2ccccn2)n1.Clc1cc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)ccc1N1CCOCC1
• InChI: InChI=1S/C26H20N6OS.C23H20ClN7OS.C22H16N10S2/c1-33-21-13-17(16-5-3-2-4-6-16)11-20(14-21)29-26-30-23-9-10-34-24(23)25(31-26)28-19-7-8-22-18(12-19)15-27-32-22;24-17-12-16(2-4-20(17)31-6-8-32-9-7-31)27-23-28-19-5-10-33-21(19)22(29-23)26-15-1-3-18-14(11-15)13-25-30-18;1-33-22-29-18(16-4-2-3-8-23-16)27-21(31-22)30-20-26-15-7-9-34-17(15)19(28-20)25-13-5-6-14-12(10-13)11-24-32-14/h2-15H,1H3,(H,27,32)(H2,28,29,30,31);1-5,10-13H,6-9H2,(H,25,30)(H2,26,27,28,29);2-11H,1H3,(H,24,32)(H2,25,26,27,28,29,30,31)
• InChIKey: VPCRPOHXUAVIAS-UHFFFAOYSA-N
• XLogP: 17.30
• TPSA: 308.82 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 26
• Rotatable Bonds: 17
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1427.11
LogP ≤ 5	17.30
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-chloro-4-morpholin-4-ylphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-methoxy-5-phenylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-methylsulfanyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine?

The IUPAC name of 2-N-(3-chloro-4-morpholin-4-ylphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-methoxy-5-phenylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-methylsulfanyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine (CID 161360594) is 2-N-(3-chloro-4-morpholin-4-ylphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-methoxy-5-phenylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-methylsulfanyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine.

What is the SMILES notation for 2-N-(3-chloro-4-morpholin-4-ylphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-methoxy-5-phenylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-methylsulfanyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine?

The canonical SMILES for 2-N-(3-chloro-4-morpholin-4-ylphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-methoxy-5-phenylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-methylsulfanyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine is COc1cc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)cc(-c2ccccc2)c1.CSc1nc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)nc(-c2ccccn2)n1.Clc1cc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)ccc1N1CCOCC1.

What is the InChIKey of 2-N-(3-chloro-4-morpholin-4-ylphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-methoxy-5-phenylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-methylsulfanyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine?

The InChIKey is VPCRPOHXUAVIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N6OS.C23H20ClN7OS.C22H16N10S2/c1-33-21-13-17(16-5-3-2-4-6-16)11-20(14-21)29-26-30-23-9-10-34-24(23)25(31-26)28-19-7-8-22-18(12-19)15-27-32-22;24-17-12-16(2-4-20(17)31-6-8-32-9-7-31)27-23-28-19-5-10-33-21(19)22(29-23)26-15-1-3-18-14(11-15)13-25-30-18;1-33-22-29-18(16-4-2-3-8-23-16)27-21(31-22)30-20-26-15-7-9-34-17(15)19(28-20)25-13-5-6-14-12(10-13)11-24-32-14/h2-15H,1H3,(H,27,32)(H2,28,29,30,31);1-5,10-13H,6-9H2,(H,25,30)(H2,26,27,28,29);2-11H,1H3,(H,24,32)(H2,25,26,27,28,29,30,31).

What are the key properties of 2-N-(3-chloro-4-morpholin-4-ylphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-methoxy-5-phenylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-methylsulfanyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine?

2-N-(3-chloro-4-morpholin-4-ylphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-methoxy-5-phenylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-methylsulfanyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 1427.11 g/mol, XLogP of 17.30, 17 rotatable bonds, 9 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-(3-chloro-4-morpholin-4-ylphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-methoxy-5-phenylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-methylsulfanyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 161360594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).