2-N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(5-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]thieno[3,2-d]pyrimidine-2,4-diamine

C74H62F3N31S6 — CID 158255706

About 2-N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(5-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]thieno[3,2-d]pyrimidine-2,4-diamine

2-N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(5-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]thieno[3,2-d]pyrimidine-2,4-diamine (PubChem CID 158255706) has the molecular formula C74H62F3N31S6 and a molecular weight of 1634.92 g/mol. Its IUPAC name is 2-N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(5-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]thieno[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 2-N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(5-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]thieno[3,2-d]pyrimidine-2,4-diamine
• PubChem CID: 158255706
• Molecular Formula: C74H62F3N31S6
• Molecular Weight: 1634.92 g/mol
• Exact Mass: 1633.41
• IUPAC Name: 2-N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(5-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]thieno[3,2-d]pyrimidine-2,4-diamine
• SMILES: Cc1cnc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)s1.Cn1nc(C(C)(C)C)cc1Nc1nc(Nc2ccc3[nH]ncc3c2)c2sccc2n1.Cn1nc(C2CC2)cc1Nc1nc(Nc2ccc3[nH]ncc3c2)c2sccc2n1.FC(F)(F)c1nnc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)s1
• InChI: InChI=1S/C21H22N8S.C20H18N8S.C17H13N7S2.C16H9F3N8S2/c1-21(2,3)16-10-17(29(4)28-16)25-20-24-15-7-8-30-18(15)19(26-20)23-13-5-6-14-12(9-13)11-22-27-14;1-28-17(9-16(27-28)11-2-3-11)24-20-23-15-6-7-29-18(15)19(25-20)22-13-4-5-14-12(8-13)10-21-26-14;1-9-7-18-17(26-9)23-16-21-13-4-5-25-14(13)15(22-16)20-11-2-3-12-10(6-11)8-19-24-12;17-16(18,19)13-26-27-15(29-13)24-14-22-10-3-4-28-11(10)12(23-14)21-8-1-2-9-7(5-8)6-20-25-9/h5-11H,1-4H3,(H,22,27)(H2,23,24,25,26);4-11H,2-3H2,1H3,(H,21,26)(H2,22,23,24,25);2-8H,1H3,(H,19,24)(H2,18,20,21,22,23);1-6H,(H,20,25)(H2,21,22,23,24,27)
• InChIKey: GHGJRQUDLXQODE-UHFFFAOYSA-N
• XLogP: 19.50
• TPSA: 388.39 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 33
• Rotatable Bonds: 17
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1634.92
LogP ≤ 5	19.50
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(5-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]thieno[3,2-d]pyrimidine-2,4-diamine?

The IUPAC name of 2-N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(5-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]thieno[3,2-d]pyrimidine-2,4-diamine (CID 158255706) is 2-N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(5-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]thieno[3,2-d]pyrimidine-2,4-diamine.

What is the SMILES notation for 2-N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(5-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]thieno[3,2-d]pyrimidine-2,4-diamine?

The canonical SMILES for 2-N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(5-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]thieno[3,2-d]pyrimidine-2,4-diamine is Cc1cnc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)s1.Cn1nc(C(C)(C)C)cc1Nc1nc(Nc2ccc3[nH]ncc3c2)c2sccc2n1.Cn1nc(C2CC2)cc1Nc1nc(Nc2ccc3[nH]ncc3c2)c2sccc2n1.FC(F)(F)c1nnc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)s1.

What is the InChIKey of 2-N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(5-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]thieno[3,2-d]pyrimidine-2,4-diamine?

The InChIKey is GHGJRQUDLXQODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N8S.C20H18N8S.C17H13N7S2.C16H9F3N8S2/c1-21(2,3)16-10-17(29(4)28-16)25-20-24-15-7-8-30-18(15)19(26-20)23-13-5-6-14-12(9-13)11-22-27-14;1-28-17(9-16(27-28)11-2-3-11)24-20-23-15-6-7-29-18(15)19(25-20)22-13-4-5-14-12(8-13)10-21-26-14;1-9-7-18-17(26-9)23-16-21-13-4-5-25-14(13)15(22-16)20-11-2-3-12-10(6-11)8-19-24-12;17-16(18,19)13-26-27-15(29-13)24-14-22-10-3-4-28-11(10)12(23-14)21-8-1-2-9-7(5-8)6-20-25-9/h5-11H,1-4H3,(H,22,27)(H2,23,24,25,26);4-11H,2-3H2,1H3,(H,21,26)(H2,22,23,24,25);2-8H,1H3,(H,19,24)(H2,18,20,21,22,23);1-6H,(H,20,25)(H2,21,22,23,24,27).

What are the key properties of 2-N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(5-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]thieno[3,2-d]pyrimidine-2,4-diamine?

2-N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(5-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]thieno[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 1634.92 g/mol, XLogP of 19.50, 17 rotatable bonds, 12 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(5-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]thieno[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 158255706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).