[4-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]methanol;4-N-(1H-indazol-5-yl)-2-N-(naphthalen-1-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(thiophen-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[4-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine

C82H61F3N24OS5 — CID 158309399

About [4-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]methanol;4-N-(1H-indazol-5-yl)-2-N-(naphthalen-1-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(thiophen-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[4-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine

[4-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]methanol;4-N-(1H-indazol-5-yl)-2-N-(naphthalen-1-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(thiophen-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[4-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine (PubChem CID 158309399) has the molecular formula C82H61F3N24OS5 and a molecular weight of 1615.89 g/mol. Its IUPAC name is [4-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]methanol;4-N-(1H-indazol-5-yl)-2-N-(naphthalen-1-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(thiophen-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[4-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: [4-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]methanol;4-N-(1H-indazol-5-yl)-2-N-(naphthalen-1-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(thiophen-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[4-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine
• PubChem CID: 158309399
• Molecular Formula: C82H61F3N24OS5
• Molecular Weight: 1615.89 g/mol
• Exact Mass: 1614.40
• IUPAC Name: [4-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]methanol;4-N-(1H-indazol-5-yl)-2-N-(naphthalen-1-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(thiophen-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[4-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine
• SMILES: FC(F)(F)c1ccc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)cc1.OCc1ccc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)cc1.c1ccc2c(CNc3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)cccc2c1.c1csc(CNc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)c1
• InChI: InChI=1S/C24H18N6S.C20H13F3N6S.C20H16N6OS.C18H14N6S2/c1-2-7-19-15(4-1)5-3-6-16(19)13-25-24-28-21-10-11-31-22(21)23(29-24)27-18-8-9-20-17(12-18)14-26-30-20;21-20(22,23)12-1-3-13(4-2-12)26-19-27-16-7-8-30-17(16)18(28-19)25-14-5-6-15-11(9-14)10-24-29-15;27-11-12-1-3-14(4-2-12)23-20-24-17-7-8-28-18(17)19(25-20)22-15-5-6-16-13(9-15)10-21-26-16;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/h1-12,14H,13H2,(H,26,30)(H2,25,27,28,29);1-10H,(H,24,29)(H2,25,26,27,28);1-10,27H,11H2,(H,21,26)(H2,22,23,24,25);1-9H,10H2,(H,20,24)(H2,19,21,22,23)
• InChIKey: GNMKLCVGJBORTE-UHFFFAOYSA-N
• XLogP: 21.68
• TPSA: 334.31 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 26
• Rotatable Bonds: 19
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1615.89
LogP ≤ 5	21.68
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]methanol;4-N-(1H-indazol-5-yl)-2-N-(naphthalen-1-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(thiophen-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[4-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine?

The IUPAC name of [4-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]methanol;4-N-(1H-indazol-5-yl)-2-N-(naphthalen-1-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(thiophen-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[4-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine (CID 158309399) is [4-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]methanol;4-N-(1H-indazol-5-yl)-2-N-(naphthalen-1-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(thiophen-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[4-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine.

What is the SMILES notation for [4-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]methanol;4-N-(1H-indazol-5-yl)-2-N-(naphthalen-1-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(thiophen-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[4-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine?

The canonical SMILES for [4-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]methanol;4-N-(1H-indazol-5-yl)-2-N-(naphthalen-1-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(thiophen-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[4-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine is FC(F)(F)c1ccc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)cc1.OCc1ccc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)cc1.c1ccc2c(CNc3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)cccc2c1.c1csc(CNc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)c1.

What is the InChIKey of [4-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]methanol;4-N-(1H-indazol-5-yl)-2-N-(naphthalen-1-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(thiophen-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[4-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine?

The InChIKey is GNMKLCVGJBORTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N6S.C20H13F3N6S.C20H16N6OS.C18H14N6S2/c1-2-7-19-15(4-1)5-3-6-16(19)13-25-24-28-21-10-11-31-22(21)23(29-24)27-18-8-9-20-17(12-18)14-26-30-20;21-20(22,23)12-1-3-13(4-2-12)26-19-27-16-7-8-30-17(16)18(28-19)25-14-5-6-15-11(9-14)10-24-29-15;27-11-12-1-3-14(4-2-12)23-20-24-17-7-8-28-18(17)19(25-20)22-15-5-6-16-13(9-15)10-21-26-16;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/h1-12,14H,13H2,(H,26,30)(H2,25,27,28,29);1-10H,(H,24,29)(H2,25,26,27,28);1-10,27H,11H2,(H,21,26)(H2,22,23,24,25);1-9H,10H2,(H,20,24)(H2,19,21,22,23).

What are the key properties of [4-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]methanol;4-N-(1H-indazol-5-yl)-2-N-(naphthalen-1-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(thiophen-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[4-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine?

[4-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]methanol;4-N-(1H-indazol-5-yl)-2-N-(naphthalen-1-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(thiophen-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[4-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 1615.89 g/mol, XLogP of 21.68, 19 rotatable bonds, 13 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]methanol;4-N-(1H-indazol-5-yl)-2-N-(naphthalen-1-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(thiophen-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[4-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 158309399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).