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

C75H79N25OS4 — CID 159264963

About 2-N-cyclohexyl-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-(cyclohexylmethyl)-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-cyclohexyl-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-(cyclohexylmethyl)-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 159264963) has the molecular formula C75H79N25OS4 and a molecular weight of 1474.90 g/mol. Its IUPAC name is 2-N-cyclohexyl-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-(cyclohexylmethyl)-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-cyclohexyl-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-(cyclohexylmethyl)-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: 159264963
• Molecular Formula: C75H79N25OS4
• Molecular Weight: 1474.90 g/mol
• Exact Mass: 1473.58
• IUPAC Name: 2-N-cyclohexyl-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-(cyclohexylmethyl)-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(NCC3CCCCC3)nc(Nc3ccc4[nH]ncc4c3)c2s1.c1cc2nc(NCC3CCCO3)nc(Nc3ccc4[nH]ncc4c3)c2s1.c1cc2nc(NN3CCCCC3)nc(Nc3ccc4[nH]ncc4c3)c2s1
• InChI: InChI=1S/C20H22N6S.C19H20N6S.C18H19N7S.C18H18N6OS/c1-2-4-13(5-3-1)11-21-20-24-17-8-9-27-18(17)19(25-20)23-15-6-7-16-14(10-15)12-22-26-16;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/h6-10,12-13H,1-5,11H2,(H,22,26)(H2,21,23,24,25);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: KWZFHOXKULHILZ-UHFFFAOYSA-N
• XLogP: 18.39
• TPSA: 326.55 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 26
• Rotatable Bonds: 18
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1474.90
LogP ≤ 5	18.39
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclohexyl-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-(cyclohexylmethyl)-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-cyclohexyl-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-(cyclohexylmethyl)-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 159264963) is 2-N-cyclohexyl-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-(cyclohexylmethyl)-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-cyclohexyl-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-(cyclohexylmethyl)-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-cyclohexyl-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-(cyclohexylmethyl)-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(NCC3CCCCC3)nc(Nc3ccc4[nH]ncc4c3)c2s1.c1cc2nc(NCC3CCCO3)nc(Nc3ccc4[nH]ncc4c3)c2s1.c1cc2nc(NN3CCCCC3)nc(Nc3ccc4[nH]ncc4c3)c2s1.

What is the InChIKey of 2-N-cyclohexyl-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-(cyclohexylmethyl)-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 KWZFHOXKULHILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6S.C19H20N6S.C18H19N7S.C18H18N6OS/c1-2-4-13(5-3-1)11-21-20-24-17-8-9-27-18(17)19(25-20)23-15-6-7-16-14(10-15)12-22-26-16;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/h6-10,12-13H,1-5,11H2,(H,22,26)(H2,21,23,24,25);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-cyclohexyl-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-(cyclohexylmethyl)-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-cyclohexyl-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-(cyclohexylmethyl)-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 1474.90 g/mol, XLogP of 18.39, 18 rotatable bonds, 12 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-cyclohexyl-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-(cyclohexylmethyl)-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 159264963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).