2-N-(4-ethoxyphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-naphthalen-1-ylthieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[3-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine

C83H62F3N25O2S4 — CID 158163783

About 2-N-(4-ethoxyphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-naphthalen-1-ylthieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[3-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine

2-N-(4-ethoxyphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-naphthalen-1-ylthieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[3-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine (PubChem CID 158163783) has the molecular formula C83H62F3N25O2S4 and a molecular weight of 1626.84 g/mol. Its IUPAC name is 2-N-(4-ethoxyphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-naphthalen-1-ylthieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[3-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 2-N-(4-ethoxyphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-naphthalen-1-ylthieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[3-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine
• PubChem CID: 158163783
• Molecular Formula: C83H62F3N25O2S4
• Molecular Weight: 1626.84 g/mol
• Exact Mass: 1625.44
• IUPAC Name: 2-N-(4-ethoxyphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-naphthalen-1-ylthieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[3-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine
• SMILES: CCOc1ccc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)cc1.COc1ccc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)cn1.FC(F)(F)c1cccc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)c1.c1ccc2c(Nc3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)cccc2c1
• InChI: InChI=1S/C23H16N6S.C21H18N6OS.C20H13F3N6S.C19H15N7OS/c1-2-6-17-14(4-1)5-3-7-19(17)26-23-27-20-10-11-30-21(20)22(28-23)25-16-8-9-18-15(12-16)13-24-29-18;1-2-28-16-6-3-14(4-7-16)24-21-25-18-9-10-29-19(18)20(26-21)23-15-5-8-17-13(11-15)12-22-27-17;21-20(22,23)12-2-1-3-13(9-12)26-19-27-16-6-7-30-17(16)18(28-19)25-14-4-5-15-11(8-14)10-24-29-15;1-27-16-5-3-13(10-20-16)23-19-24-15-6-7-28-17(15)18(25-19)22-12-2-4-14-11(8-12)9-21-26-14/h1-13H,(H,24,29)(H2,25,26,27,28);3-12H,2H2,1H3,(H,22,27)(H2,23,24,25,26);1-10H,(H,24,29)(H2,25,26,27,28);2-10H,1H3,(H,21,26)(H2,22,23,24,25)
• InChIKey: FWPCDAQWAIIKJB-UHFFFAOYSA-N
• XLogP: 22.19
• TPSA: 345.43 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 27
• Rotatable Bonds: 19
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1626.84
LogP ≤ 5	22.19
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-ethoxyphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-naphthalen-1-ylthieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[3-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine?

The IUPAC name of 2-N-(4-ethoxyphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-naphthalen-1-ylthieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[3-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine (CID 158163783) is 2-N-(4-ethoxyphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-naphthalen-1-ylthieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[3-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine.

What is the SMILES notation for 2-N-(4-ethoxyphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-naphthalen-1-ylthieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[3-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine?

The canonical SMILES for 2-N-(4-ethoxyphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-naphthalen-1-ylthieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[3-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine is CCOc1ccc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)cc1.COc1ccc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)cn1.FC(F)(F)c1cccc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)c1.c1ccc2c(Nc3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)cccc2c1.

What is the InChIKey of 2-N-(4-ethoxyphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-naphthalen-1-ylthieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[3-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine?

The InChIKey is FWPCDAQWAIIKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N6S.C21H18N6OS.C20H13F3N6S.C19H15N7OS/c1-2-6-17-14(4-1)5-3-7-19(17)26-23-27-20-10-11-30-21(20)22(28-23)25-16-8-9-18-15(12-16)13-24-29-18;1-2-28-16-6-3-14(4-7-16)24-21-25-18-9-10-29-19(18)20(26-21)23-15-5-8-17-13(11-15)12-22-27-17;21-20(22,23)12-2-1-3-13(9-12)26-19-27-16-6-7-30-17(16)18(28-19)25-14-4-5-15-11(8-14)10-24-29-15;1-27-16-5-3-13(10-20-16)23-19-24-15-6-7-28-17(15)18(25-19)22-12-2-4-14-11(8-12)9-21-26-14/h1-13H,(H,24,29)(H2,25,26,27,28);3-12H,2H2,1H3,(H,22,27)(H2,23,24,25,26);1-10H,(H,24,29)(H2,25,26,27,28);2-10H,1H3,(H,21,26)(H2,22,23,24,25).

What are the key properties of 2-N-(4-ethoxyphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-naphthalen-1-ylthieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[3-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine?

2-N-(4-ethoxyphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-naphthalen-1-ylthieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[3-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 1626.84 g/mol, XLogP of 22.19, 19 rotatable bonds, 12 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-(4-ethoxyphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-naphthalen-1-ylthieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[3-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 158163783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).