2-N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;N-[4-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-2-(trifluoromethyl)phenyl]acetamide;4-N-(1H-indazol-5-yl)-2-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]thieno[3,2-d]pyrimidine-2,4-diamine

C70H56F6N22O2S3 — CID 160749327

About 2-N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;N-[4-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-2-(trifluoromethyl)phenyl]acetamide;4-N-(1H-indazol-5-yl)-2-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]thieno[3,2-d]pyrimidine-2,4-diamine

2-N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;N-[4-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-2-(trifluoromethyl)phenyl]acetamide;4-N-(1H-indazol-5-yl)-2-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]thieno[3,2-d]pyrimidine-2,4-diamine (PubChem CID 160749327) has the molecular formula C70H56F6N22O2S3 and a molecular weight of 1447.56 g/mol. Its IUPAC name is 2-N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;N-[4-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-2-(trifluoromethyl)phenyl]acetamide;4-N-(1H-indazol-5-yl)-2-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]thieno[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 2-N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;N-[4-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-2-(trifluoromethyl)phenyl]acetamide;4-N-(1H-indazol-5-yl)-2-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]thieno[3,2-d]pyrimidine-2,4-diamine
• PubChem CID: 160749327
• Molecular Formula: C70H56F6N22O2S3
• Molecular Weight: 1447.56 g/mol
• Exact Mass: 1446.40
• IUPAC Name: 2-N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;N-[4-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-2-(trifluoromethyl)phenyl]acetamide;4-N-(1H-indazol-5-yl)-2-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]thieno[3,2-d]pyrimidine-2,4-diamine
• SMILES: CC(=O)Nc1ccc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)cc1C(F)(F)F.CC1CN(c2ccc(Nc3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)cc2)CC(C)O1.FC(F)(F)c1ccnn1-c1ccc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)cc1
• InChI: InChI=1S/C25H25N7OS.C23H15F3N8S.C22H16F3N7OS/c1-15-13-32(14-16(2)33-15)20-6-3-18(4-7-20)28-25-29-22-9-10-34-23(22)24(30-25)27-19-5-8-21-17(11-19)12-26-31-21;24-23(25,26)19-7-9-28-34(19)16-4-1-14(2-5-16)30-22-31-18-8-10-35-20(18)21(32-22)29-15-3-6-17-13(11-15)12-27-33-17;1-11(33)27-17-5-3-14(9-15(17)22(23,24)25)29-21-30-18-6-7-34-19(18)20(31-21)28-13-2-4-16-12(8-13)10-26-32-16/h3-12,15-16H,13-14H2,1-2H3,(H,26,31)(H2,27,28,29,30);1-12H,(H,27,33)(H2,29,30,31,32);2-10H,1H3,(H,26,32)(H,27,33)(H2,28,29,30,31)
• InChIKey: RWPKVPIMISROCT-UHFFFAOYSA-N
• XLogP: 17.96
• TPSA: 294.95 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 23
• Rotatable Bonds: 15
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1447.56
LogP ≤ 5	17.96
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;N-[4-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-2-(trifluoromethyl)phenyl]acetamide;4-N-(1H-indazol-5-yl)-2-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]thieno[3,2-d]pyrimidine-2,4-diamine?

The IUPAC name of 2-N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;N-[4-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-2-(trifluoromethyl)phenyl]acetamide;4-N-(1H-indazol-5-yl)-2-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]thieno[3,2-d]pyrimidine-2,4-diamine (CID 160749327) is 2-N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;N-[4-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-2-(trifluoromethyl)phenyl]acetamide;4-N-(1H-indazol-5-yl)-2-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]thieno[3,2-d]pyrimidine-2,4-diamine.

What is the SMILES notation for 2-N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;N-[4-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-2-(trifluoromethyl)phenyl]acetamide;4-N-(1H-indazol-5-yl)-2-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]thieno[3,2-d]pyrimidine-2,4-diamine?

The canonical SMILES for 2-N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;N-[4-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-2-(trifluoromethyl)phenyl]acetamide;4-N-(1H-indazol-5-yl)-2-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]thieno[3,2-d]pyrimidine-2,4-diamine is CC(=O)Nc1ccc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)cc1C(F)(F)F.CC1CN(c2ccc(Nc3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)cc2)CC(C)O1.FC(F)(F)c1ccnn1-c1ccc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)cc1.

What is the InChIKey of 2-N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;N-[4-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-2-(trifluoromethyl)phenyl]acetamide;4-N-(1H-indazol-5-yl)-2-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]thieno[3,2-d]pyrimidine-2,4-diamine?

The InChIKey is RWPKVPIMISROCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7OS.C23H15F3N8S.C22H16F3N7OS/c1-15-13-32(14-16(2)33-15)20-6-3-18(4-7-20)28-25-29-22-9-10-34-23(22)24(30-25)27-19-5-8-21-17(11-19)12-26-31-21;24-23(25,26)19-7-9-28-34(19)16-4-1-14(2-5-16)30-22-31-18-8-10-35-20(18)21(32-22)29-15-3-6-17-13(11-15)12-27-33-17;1-11(33)27-17-5-3-14(9-15(17)22(23,24)25)29-21-30-18-6-7-34-19(18)20(31-21)28-13-2-4-16-12(8-13)10-26-32-16/h3-12,15-16H,13-14H2,1-2H3,(H,26,31)(H2,27,28,29,30);1-12H,(H,27,33)(H2,29,30,31,32);2-10H,1H3,(H,26,32)(H,27,33)(H2,28,29,30,31).

What are the key properties of 2-N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;N-[4-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-2-(trifluoromethyl)phenyl]acetamide;4-N-(1H-indazol-5-yl)-2-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]thieno[3,2-d]pyrimidine-2,4-diamine?

2-N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;N-[4-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-2-(trifluoromethyl)phenyl]acetamide;4-N-(1H-indazol-5-yl)-2-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]thieno[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 1447.56 g/mol, XLogP of 17.96, 15 rotatable bonds, 10 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;N-[4-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-2-(trifluoromethyl)phenyl]acetamide;4-N-(1H-indazol-5-yl)-2-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]thieno[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 160749327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).