2-N-[(4-tert-butylphenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[(3,5-dimethylphenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[(4-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidine-2,4-diamine

C88H77F3N24S4 — CID 160832915

About 2-N-[(4-tert-butylphenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[(3,5-dimethylphenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[(4-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidine-2,4-diamine

2-N-[(4-tert-butylphenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[(3,5-dimethylphenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[(4-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidine-2,4-diamine (PubChem CID 160832915) has the molecular formula C88H77F3N24S4 and a molecular weight of 1656.01 g/mol. Its IUPAC name is 2-N-[(4-tert-butylphenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[(3,5-dimethylphenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[(4-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 2-N-[(4-tert-butylphenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[(3,5-dimethylphenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[(4-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidine-2,4-diamine
• PubChem CID: 160832915
• Molecular Formula: C88H77F3N24S4
• Molecular Weight: 1656.01 g/mol
• Exact Mass: 1654.56
• IUPAC Name: 2-N-[(4-tert-butylphenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[(3,5-dimethylphenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[(4-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidine-2,4-diamine
• SMILES: CC(C)(C)c1ccc(CNc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)cc1.Cc1cc(C)cc(CNc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)c1.Cc1ccc(CNc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)cc1.FC(F)(F)c1cccc(CNc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)c1
• InChI: InChI=1S/C24H24N6S.C22H20N6S.C21H15F3N6S.C21H18N6S/c1-24(2,3)17-6-4-15(5-7-17)13-25-23-28-20-10-11-31-21(20)22(29-23)27-18-8-9-19-16(12-18)14-26-30-19;1-13-7-14(2)9-15(8-13)11-23-22-26-19-5-6-29-20(19)21(27-22)25-17-3-4-18-16(10-17)12-24-28-18;22-21(23,24)14-3-1-2-12(8-14)10-25-20-28-17-6-7-31-18(17)19(29-20)27-15-4-5-16-13(9-15)11-26-30-16;1-13-2-4-14(5-3-13)11-22-21-25-18-8-9-28-19(18)20(26-21)24-16-6-7-17-15(10-16)12-23-27-17/h4-12,14H,13H2,1-3H3,(H,26,30)(H2,25,27,28,29);3-10,12H,11H2,1-2H3,(H,24,28)(H2,23,25,26,27);1-9,11H,10H2,(H,26,30)(H2,25,27,28,29);2-10,12H,11H2,1H3,(H,23,27)(H2,22,24,25,26)
• InChIKey: SHAMWVCDDZFIEL-UHFFFAOYSA-N
• XLogP: 22.93
• TPSA: 314.08 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 24
• Rotatable Bonds: 20
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1656.01
LogP ≤ 5	22.93
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-tert-butylphenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[(3,5-dimethylphenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[(4-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidine-2,4-diamine?

The IUPAC name of 2-N-[(4-tert-butylphenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[(3,5-dimethylphenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[(4-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidine-2,4-diamine (CID 160832915) is 2-N-[(4-tert-butylphenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[(3,5-dimethylphenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[(4-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidine-2,4-diamine.

What is the SMILES notation for 2-N-[(4-tert-butylphenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[(3,5-dimethylphenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[(4-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidine-2,4-diamine?

The canonical SMILES for 2-N-[(4-tert-butylphenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[(3,5-dimethylphenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[(4-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidine-2,4-diamine is CC(C)(C)c1ccc(CNc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)cc1.Cc1cc(C)cc(CNc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)c1.Cc1ccc(CNc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)cc1.FC(F)(F)c1cccc(CNc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)c1.

What is the InChIKey of 2-N-[(4-tert-butylphenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[(3,5-dimethylphenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[(4-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidine-2,4-diamine?

The InChIKey is SHAMWVCDDZFIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6S.C22H20N6S.C21H15F3N6S.C21H18N6S/c1-24(2,3)17-6-4-15(5-7-17)13-25-23-28-20-10-11-31-21(20)22(29-23)27-18-8-9-19-16(12-18)14-26-30-19;1-13-7-14(2)9-15(8-13)11-23-22-26-19-5-6-29-20(19)21(27-22)25-17-3-4-18-16(10-17)12-24-28-18;22-21(23,24)14-3-1-2-12(8-14)10-25-20-28-17-6-7-31-18(17)19(29-20)27-15-4-5-16-13(9-15)11-26-30-16;1-13-2-4-14(5-3-13)11-22-21-25-18-8-9-28-19(18)20(26-21)24-16-6-7-17-15(10-16)12-23-27-17/h4-12,14H,13H2,1-3H3,(H,26,30)(H2,25,27,28,29);3-10,12H,11H2,1-2H3,(H,24,28)(H2,23,25,26,27);1-9,11H,10H2,(H,26,30)(H2,25,27,28,29);2-10,12H,11H2,1H3,(H,23,27)(H2,22,24,25,26).

What are the key properties of 2-N-[(4-tert-butylphenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[(3,5-dimethylphenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[(4-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidine-2,4-diamine?

2-N-[(4-tert-butylphenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[(3,5-dimethylphenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[(4-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 1656.01 g/mol, XLogP of 22.93, 20 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-[(4-tert-butylphenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[(3,5-dimethylphenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[(4-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 160832915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).