2-N-[(2,5-difluorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[(3-fluorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[(4-fluorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine

C81H61F5N24S4 — CID 157199811

About 2-N-[(2,5-difluorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[(3-fluorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[(4-fluorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine

2-N-[(2,5-difluorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[(3-fluorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[(4-fluorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine (PubChem CID 157199811) has the molecular formula C81H61F5N24S4 and a molecular weight of 1593.80 g/mol. Its IUPAC name is 2-N-[(2,5-difluorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[(3-fluorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[(4-fluorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 2-N-[(2,5-difluorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[(3-fluorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[(4-fluorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine
• PubChem CID: 157199811
• Molecular Formula: C81H61F5N24S4
• Molecular Weight: 1593.80 g/mol
• Exact Mass: 1592.43
• IUPAC Name: 2-N-[(2,5-difluorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[(3-fluorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[(4-fluorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine
• SMILES: CC(Nc1nc(Nc2ccc3[nH]ncc3c2)c2sccc2n1)c1ccc(F)cc1.Fc1ccc(CNc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)cc1.Fc1ccc(F)c(CNc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)c1.Fc1cccc(CNc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)c1
• InChI: InChI=1S/C21H17FN6S.C20H14F2N6S.2C20H15FN6S/c1-12(13-2-4-15(22)5-3-13)24-21-26-18-8-9-29-19(18)20(27-21)25-16-6-7-17-14(10-16)11-23-28-17;21-13-1-3-15(22)11(7-13)9-23-20-26-17-5-6-29-18(17)19(27-20)25-14-2-4-16-12(8-14)10-24-28-16;21-14-3-1-12(2-4-14)10-22-20-25-17-7-8-28-18(17)19(26-20)24-15-5-6-16-13(9-15)11-23-27-16;21-14-3-1-2-12(8-14)10-22-20-25-17-6-7-28-18(17)19(26-20)24-15-4-5-16-13(9-15)11-23-27-16/h2-12H,1H3,(H,23,28)(H2,24,25,26,27);1-8,10H,9H2,(H,24,28)(H2,23,25,26,27);2*1-9,11H,10H2,(H,23,27)(H2,22,24,25,26)
• InChIKey: AQRCFAQUSISAMK-UHFFFAOYSA-N
• XLogP: 20.95
• TPSA: 314.08 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 24
• Rotatable Bonds: 20
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1593.80
LogP ≤ 5	20.95
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2,5-difluorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[(3-fluorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[(4-fluorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine?

The IUPAC name of 2-N-[(2,5-difluorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[(3-fluorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[(4-fluorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine (CID 157199811) is 2-N-[(2,5-difluorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[(3-fluorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[(4-fluorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine.

What is the SMILES notation for 2-N-[(2,5-difluorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[(3-fluorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[(4-fluorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine?

The canonical SMILES for 2-N-[(2,5-difluorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[(3-fluorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[(4-fluorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine is CC(Nc1nc(Nc2ccc3[nH]ncc3c2)c2sccc2n1)c1ccc(F)cc1.Fc1ccc(CNc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)cc1.Fc1ccc(F)c(CNc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)c1.Fc1cccc(CNc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)c1.

What is the InChIKey of 2-N-[(2,5-difluorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[(3-fluorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[(4-fluorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine?

The InChIKey is AQRCFAQUSISAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN6S.C20H14F2N6S.2C20H15FN6S/c1-12(13-2-4-15(22)5-3-13)24-21-26-18-8-9-29-19(18)20(27-21)25-16-6-7-17-14(10-16)11-23-28-17;21-13-1-3-15(22)11(7-13)9-23-20-26-17-5-6-29-18(17)19(27-20)25-14-2-4-16-12(8-14)10-24-28-16;21-14-3-1-12(2-4-14)10-22-20-25-17-7-8-28-18(17)19(26-20)24-15-5-6-16-13(9-15)11-23-27-16;21-14-3-1-2-12(8-14)10-22-20-25-17-6-7-28-18(17)19(26-20)24-15-4-5-16-13(9-15)11-23-27-16/h2-12H,1H3,(H,23,28)(H2,24,25,26,27);1-8,10H,9H2,(H,24,28)(H2,23,25,26,27);2*1-9,11H,10H2,(H,23,27)(H2,22,24,25,26).

What are the key properties of 2-N-[(2,5-difluorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[(3-fluorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[(4-fluorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine?

2-N-[(2,5-difluorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[(3-fluorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[(4-fluorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 1593.80 g/mol, XLogP of 20.95, 20 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-[(2,5-difluorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[(3-fluorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[(4-fluorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 157199811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).