2-N-(1-benzylpiperidin-4-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-cyclohexyl-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(oxolan-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-piperidin-1-ylthieno[3,2-d]pyrimidine-2,4-diamine

C80H82N26OS4 — CID 159909767

About 2-N-(1-benzylpiperidin-4-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-cyclohexyl-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(oxolan-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-piperidin-1-ylthieno[3,2-d]pyrimidine-2,4-diamine

2-N-(1-benzylpiperidin-4-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-cyclohexyl-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(oxolan-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-piperidin-1-ylthieno[3,2-d]pyrimidine-2,4-diamine (PubChem CID 159909767) has the molecular formula C80H82N26OS4 and a molecular weight of 1551.98 g/mol. Its IUPAC name is 2-N-(1-benzylpiperidin-4-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-cyclohexyl-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(oxolan-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-piperidin-1-ylthieno[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 2-N-(1-benzylpiperidin-4-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-cyclohexyl-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(oxolan-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-piperidin-1-ylthieno[3,2-d]pyrimidine-2,4-diamine
• PubChem CID: 159909767
• Molecular Formula: C80H82N26OS4
• Molecular Weight: 1551.98 g/mol
• Exact Mass: 1550.60
• IUPAC Name: 2-N-(1-benzylpiperidin-4-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-cyclohexyl-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(oxolan-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-piperidin-1-ylthieno[3,2-d]pyrimidine-2,4-diamine
• SMILES: c1cc2nc(NC3CCCCC3)nc(Nc3ccc4[nH]ncc4c3)c2s1.c1cc2nc(NCC3CCCO3)nc(Nc3ccc4[nH]ncc4c3)c2s1.c1cc2nc(NN3CCCCC3)nc(Nc3ccc4[nH]ncc4c3)c2s1.c1ccc(CN2CCC(Nc3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)CC2)cc1
• InChI: InChI=1S/C25H25N7S.C19H20N6S.C18H19N7S.C18H18N6OS/c1-2-4-17(5-3-1)16-32-11-8-19(9-12-32)28-25-29-22-10-13-33-23(22)24(30-25)27-20-6-7-21-18(14-20)15-26-31-21;1-2-4-13(5-3-1)22-19-23-16-8-9-26-17(16)18(24-19)21-14-6-7-15-12(10-14)11-20-25-15;1-2-7-25(8-3-1)24-18-21-15-6-9-26-16(15)17(22-18)20-13-4-5-14-12(10-13)11-19-23-14;1-2-13(25-6-1)10-19-18-22-15-5-7-26-16(15)17(23-18)21-12-3-4-14-11(8-12)9-20-24-14/h1-7,10,13-15,19H,8-9,11-12,16H2,(H,26,31)(H2,27,28,29,30);6-11,13H,1-5H2,(H,20,25)(H2,21,22,23,24);4-6,9-11H,1-3,7-8H2,(H,19,23)(H2,20,21,22,24);3-5,7-9,13H,1-2,6,10H2,(H,20,24)(H2,19,21,22,23)
• InChIKey: NXAPLVDTZWKJSE-UHFFFAOYSA-N
• XLogP: 18.47
• TPSA: 329.79 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 27
• Rotatable Bonds: 19
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1551.98
LogP ≤ 5	18.47
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-benzylpiperidin-4-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-cyclohexyl-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(oxolan-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-piperidin-1-ylthieno[3,2-d]pyrimidine-2,4-diamine?

The IUPAC name of 2-N-(1-benzylpiperidin-4-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-cyclohexyl-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(oxolan-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-piperidin-1-ylthieno[3,2-d]pyrimidine-2,4-diamine (CID 159909767) is 2-N-(1-benzylpiperidin-4-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-cyclohexyl-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(oxolan-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-piperidin-1-ylthieno[3,2-d]pyrimidine-2,4-diamine.

What is the SMILES notation for 2-N-(1-benzylpiperidin-4-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-cyclohexyl-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(oxolan-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-piperidin-1-ylthieno[3,2-d]pyrimidine-2,4-diamine?

The canonical SMILES for 2-N-(1-benzylpiperidin-4-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-cyclohexyl-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(oxolan-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-piperidin-1-ylthieno[3,2-d]pyrimidine-2,4-diamine is c1cc2nc(NC3CCCCC3)nc(Nc3ccc4[nH]ncc4c3)c2s1.c1cc2nc(NCC3CCCO3)nc(Nc3ccc4[nH]ncc4c3)c2s1.c1cc2nc(NN3CCCCC3)nc(Nc3ccc4[nH]ncc4c3)c2s1.c1ccc(CN2CCC(Nc3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)CC2)cc1.

What is the InChIKey of 2-N-(1-benzylpiperidin-4-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-cyclohexyl-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(oxolan-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-piperidin-1-ylthieno[3,2-d]pyrimidine-2,4-diamine?

The InChIKey is NXAPLVDTZWKJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7S.C19H20N6S.C18H19N7S.C18H18N6OS/c1-2-4-17(5-3-1)16-32-11-8-19(9-12-32)28-25-29-22-10-13-33-23(22)24(30-25)27-20-6-7-21-18(14-20)15-26-31-21;1-2-4-13(5-3-1)22-19-23-16-8-9-26-17(16)18(24-19)21-14-6-7-15-12(10-14)11-20-25-15;1-2-7-25(8-3-1)24-18-21-15-6-9-26-16(15)17(22-18)20-13-4-5-14-12(10-13)11-19-23-14;1-2-13(25-6-1)10-19-18-22-15-5-7-26-16(15)17(23-18)21-12-3-4-14-11(8-12)9-20-24-14/h1-7,10,13-15,19H,8-9,11-12,16H2,(H,26,31)(H2,27,28,29,30);6-11,13H,1-5H2,(H,20,25)(H2,21,22,23,24);4-6,9-11H,1-3,7-8H2,(H,19,23)(H2,20,21,22,24);3-5,7-9,13H,1-2,6,10H2,(H,20,24)(H2,19,21,22,23).

What are the key properties of 2-N-(1-benzylpiperidin-4-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-cyclohexyl-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(oxolan-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-piperidin-1-ylthieno[3,2-d]pyrimidine-2,4-diamine?

2-N-(1-benzylpiperidin-4-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-cyclohexyl-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(oxolan-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-piperidin-1-ylthieno[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 1551.98 g/mol, XLogP of 18.47, 19 rotatable bonds, 12 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-(1-benzylpiperidin-4-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-cyclohexyl-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(oxolan-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-piperidin-1-ylthieno[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 159909767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).