5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-4-methylpyridin-2-amine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-4-methylpyridin-2-amine;tert-butyl 4-[[4-(6-amino-4-methyl-3-pyridinyl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;2,2,2-trifluoroacetic acid

C74H80BBr3Cl3F3N20O8S4 — CID 159652626

About 5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-4-methylpyridin-2-amine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-4-methylpyridin-2-amine;tert-butyl 4-[[4-(6-amino-4-methyl-3-pyridinyl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;2,2,2-trifluoroacetic acid

5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-4-methylpyridin-2-amine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-4-methylpyridin-2-amine;tert-butyl 4-[[4-(6-amino-4-methyl-3-pyridinyl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;2,2,2-trifluoroacetic acid (PubChem CID 159652626) has the molecular formula C74H80BBr3Cl3F3N20O8S4 and a molecular weight of 1919.73 g/mol. Its IUPAC name is 5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-4-methylpyridin-2-amine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-4-methylpyridin-2-amine;tert-butyl 4-[[4-(6-amino-4-methyl-3-pyridinyl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-4-methylpyridin-2-amine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-4-methylpyridin-2-amine;tert-butyl 4-[[4-(6-amino-4-methyl-3-pyridinyl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;2,2,2-trifluoroacetic acid
• PubChem CID: 159652626
• Molecular Formula: C74H80BBr3Cl3F3N20O8S4
• Molecular Weight: 1919.73 g/mol
• Exact Mass: 1914.20
• IUPAC Name: 5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-4-methylpyridin-2-amine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-4-methylpyridin-2-amine;tert-butyl 4-[[4-(6-amino-4-methyl-3-pyridinyl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;2,2,2-trifluoroacetic acid
• SMILES: Cc1cc(N)ncc1-c1nc(Cl)nc2c(Br)csc12.Cc1cc(N)ncc1-c1nc(N2CCOCC2)nc2c(Br)csc12.Cc1cc(N)ncc1-c1nc(N2CCOCC2)nc2c(CN3CCN(C(=O)OC(C)(C)C)CC3)csc12.Cc1cc(N)ncc1B1OC(C)(C)C(C)(C)O1.Clc1nc(Cl)c2scc(Br)c2n1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C26H35N7O3S.C16H16BrN5OS.C12H19BN2O2.C12H8BrClN4S.C6HBrCl2N2S.C2HF3O2/c1-17-13-20(27)28-14-19(17)22-23-21(29-24(30-22)32-9-11-35-12-10-32)18(16-37-23)15-31-5-7-33(8-6-31)25(34)36-26(2,3)4;1-9-6-12(18)19-7-10(9)13-15-14(11(17)8-24-15)21-16(20-13)22-2-4-23-5-3-22;1-8-6-10(14)15-7-9(8)13-16-11(2,3)12(4,5)17-13;1-5-2-8(15)16-3-6(5)9-11-10(7(13)4-19-11)18-12(14)17-9;7-2-1-12-4-3(2)10-6(9)11-5(4)8;3-2(4,5)1(6)7/h13-14,16H,5-12,15H2,1-4H3,(H2,27,28);6-8H,2-5H2,1H3,(H2,18,19);6-7H,1-5H3,(H2,14,15);2-4H,1H3,(H2,15,16);1H;(H,6,7)
• InChIKey: AOOXQNLYNIXTIZ-UHFFFAOYSA-N
• XLogP: 16.50
• TPSA: 372.24 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 30
• Rotatable Bonds: 8
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1919.73
LogP ≤ 5	16.50
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-4-methylpyridin-2-amine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-4-methylpyridin-2-amine;tert-butyl 4-[[4-(6-amino-4-methyl-3-pyridinyl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;2,2,2-trifluoroacetic acid?

The IUPAC name of 5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-4-methylpyridin-2-amine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-4-methylpyridin-2-amine;tert-butyl 4-[[4-(6-amino-4-methyl-3-pyridinyl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;2,2,2-trifluoroacetic acid (CID 159652626) is 5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-4-methylpyridin-2-amine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-4-methylpyridin-2-amine;tert-butyl 4-[[4-(6-amino-4-methyl-3-pyridinyl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-4-methylpyridin-2-amine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-4-methylpyridin-2-amine;tert-butyl 4-[[4-(6-amino-4-methyl-3-pyridinyl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;2,2,2-trifluoroacetic acid?

The canonical SMILES for 5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-4-methylpyridin-2-amine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-4-methylpyridin-2-amine;tert-butyl 4-[[4-(6-amino-4-methyl-3-pyridinyl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;2,2,2-trifluoroacetic acid is Cc1cc(N)ncc1-c1nc(Cl)nc2c(Br)csc12.Cc1cc(N)ncc1-c1nc(N2CCOCC2)nc2c(Br)csc12.Cc1cc(N)ncc1-c1nc(N2CCOCC2)nc2c(CN3CCN(C(=O)OC(C)(C)C)CC3)csc12.Cc1cc(N)ncc1B1OC(C)(C)C(C)(C)O1.Clc1nc(Cl)c2scc(Br)c2n1.O=C(O)C(F)(F)F.

What is the InChIKey of 5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-4-methylpyridin-2-amine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-4-methylpyridin-2-amine;tert-butyl 4-[[4-(6-amino-4-methyl-3-pyridinyl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;2,2,2-trifluoroacetic acid?

The InChIKey is AOOXQNLYNIXTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N7O3S.C16H16BrN5OS.C12H19BN2O2.C12H8BrClN4S.C6HBrCl2N2S.C2HF3O2/c1-17-13-20(27)28-14-19(17)22-23-21(29-24(30-22)32-9-11-35-12-10-32)18(16-37-23)15-31-5-7-33(8-6-31)25(34)36-26(2,3)4;1-9-6-12(18)19-7-10(9)13-15-14(11(17)8-24-15)21-16(20-13)22-2-4-23-5-3-22;1-8-6-10(14)15-7-9(8)13-16-11(2,3)12(4,5)17-13;1-5-2-8(15)16-3-6(5)9-11-10(7(13)4-19-11)18-12(14)17-9;7-2-1-12-4-3(2)10-6(9)11-5(4)8;3-2(4,5)1(6)7/h13-14,16H,5-12,15H2,1-4H3,(H2,27,28);6-8H,2-5H2,1H3,(H2,18,19);6-7H,1-5H3,(H2,14,15);2-4H,1H3,(H2,15,16);1H;(H,6,7).

What are the key properties of 5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-4-methylpyridin-2-amine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-4-methylpyridin-2-amine;tert-butyl 4-[[4-(6-amino-4-methyl-3-pyridinyl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;2,2,2-trifluoroacetic acid?

5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-4-methylpyridin-2-amine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-4-methylpyridin-2-amine;tert-butyl 4-[[4-(6-amino-4-methyl-3-pyridinyl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;2,2,2-trifluoroacetic acid has a molecular weight of 1919.73 g/mol, XLogP of 16.50, 8 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-4-methylpyridin-2-amine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-4-methylpyridin-2-amine;tert-butyl 4-[[4-(6-amino-4-methyl-3-pyridinyl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 159652626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).