2-chloro-6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-piperazin-1-ylthieno[3,2-d]pyrimidine;ethyl 4-bromobutanoate;ethyl 4-[4-[2-chloro-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]piperazin-1-yl]butanoate;ethyl 4-[4-[2-(1H-indazol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]piperazin-1-yl]butanoate;N-hydroxy-4-[4-[2-(1H-indazol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]piperazin-1-yl]butanamide;hydroxylamine;methanol

C101H147BrCl2N30O18S8 — CID 159824119

About 2-chloro-6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-piperazin-1-ylthieno[3,2-d]pyrimidine;ethyl 4-bromobutanoate;ethyl 4-[4-[2-chloro-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]piperazin-1-yl]butanoate;ethyl 4-[4-[2-(1H-indazol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]piperazin-1-yl]butanoate;N-hydroxy-4-[4-[2-(1H-indazol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]piperazin-1-yl]butanamide;hydroxylamine;methanol

2-chloro-6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-piperazin-1-ylthieno[3,2-d]pyrimidine;ethyl 4-bromobutanoate;ethyl 4-[4-[2-chloro-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]piperazin-1-yl]butanoate;ethyl 4-[4-[2-(1H-indazol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]piperazin-1-yl]butanoate;N-hydroxy-4-[4-[2-(1H-indazol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]piperazin-1-yl]butanamide;hydroxylamine;methanol (PubChem CID 159824119) has the molecular formula C101H147BrCl2N30O18S8 and a molecular weight of 2476.82 g/mol. Its IUPAC name is 2-chloro-6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-piperazin-1-ylthieno[3,2-d]pyrimidine;ethyl 4-bromobutanoate;ethyl 4-[4-[2-chloro-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]piperazin-1-yl]butanoate;ethyl 4-[4-[2-(1H-indazol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]piperazin-1-yl]butanoate;N-hydroxy-4-[4-[2-(1H-indazol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]piperazin-1-yl]butanamide;hydroxylamine;methanol.

Molecular Properties

• Compound Name: 2-chloro-6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-piperazin-1-ylthieno[3,2-d]pyrimidine;ethyl 4-bromobutanoate;ethyl 4-[4-[2-chloro-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]piperazin-1-yl]butanoate;ethyl 4-[4-[2-(1H-indazol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]piperazin-1-yl]butanoate;N-hydroxy-4-[4-[2-(1H-indazol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]piperazin-1-yl]butanamide;hydroxylamine;methanol
• PubChem CID: 159824119
• Molecular Formula: C101H147BrCl2N30O18S8
• Molecular Weight: 2476.82 g/mol
• Exact Mass: 2472.78
• IUPAC Name: 2-chloro-6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-piperazin-1-ylthieno[3,2-d]pyrimidine;ethyl 4-bromobutanoate;ethyl 4-[4-[2-chloro-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]piperazin-1-yl]butanoate;ethyl 4-[4-[2-(1H-indazol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]piperazin-1-yl]butanoate;N-hydroxy-4-[4-[2-(1H-indazol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]piperazin-1-yl]butanamide;hydroxylamine;methanol
• SMILES: CCOC(=O)CCCBr.CCOC(=O)CCCN1CCN(c2nc(-c3cccc4[nH]ncc34)nc3cc(CN4CCN(S(C)(=O)=O)CC4)sc23)CC1.CCOC(=O)CCCN1CCN(c2nc(Cl)nc3cc(CN4CCN(S(C)(=O)=O)CC4)sc23)CC1.CO.CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCN(CCCC(=O)NO)CC4)c3s2)CC1.CS(=O)(=O)N1CCN(Cc2cc3nc(Cl)nc(N4CCNCC4)c3s2)CC1.NO
• InChI: InChI=1S/C29H38N8O4S2.C27H35N9O4S2.C22H33ClN6O4S2.C16H23ClN6O2S2.C6H11BrO2.CH4O.H3NO/c1-3-41-26(38)8-5-9-34-10-14-36(15-11-34)29-27-25(31-28(32-29)22-6-4-7-24-23(22)19-30-33-24)18-21(42-27)20-35-12-16-37(17-13-35)43(2,39)40;1-42(39,40)36-14-10-34(11-15-36)18-19-16-23-25(41-19)27(35-12-8-33(9-13-35)7-3-6-24(37)32-38)30-26(29-23)20-4-2-5-22-21(20)17-28-31-22;1-3-33-19(30)5-4-6-26-7-11-28(12-8-26)21-20-18(24-22(23)25-21)15-17(34-20)16-27-9-13-29(14-10-27)35(2,31)32;1-27(24,25)23-8-6-21(7-9-23)11-12-10-13-14(26-12)15(20-16(17)19-13)22-4-2-18-3-5-22;1-2-9-6(8)4-3-5-7;2*1-2/h4,6-7,18-19H,3,5,8-17,20H2,1-2H3,(H,30,33);2,4-5,16-17,38H,3,6-15,18H2,1H3,(H,28,31)(H,32,37);15H,3-14,16H2,1-2H3;10,18H,2-9,11H2,1H3;2-5H2,1H3;2H,1H3;2H,1H2
• InChIKey: NMPMSHVXYMKZBC-UHFFFAOYSA-N
• XLogP: 7.88
• TPSA: 552.38 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 45
• Rotatable Bonds: 36
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2476.82
LogP ≤ 5	7.88
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-piperazin-1-ylthieno[3,2-d]pyrimidine;ethyl 4-bromobutanoate;ethyl 4-[4-[2-chloro-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]piperazin-1-yl]butanoate;ethyl 4-[4-[2-(1H-indazol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]piperazin-1-yl]butanoate;N-hydroxy-4-[4-[2-(1H-indazol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]piperazin-1-yl]butanamide;hydroxylamine;methanol?

The IUPAC name of 2-chloro-6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-piperazin-1-ylthieno[3,2-d]pyrimidine;ethyl 4-bromobutanoate;ethyl 4-[4-[2-chloro-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]piperazin-1-yl]butanoate;ethyl 4-[4-[2-(1H-indazol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]piperazin-1-yl]butanoate;N-hydroxy-4-[4-[2-(1H-indazol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]piperazin-1-yl]butanamide;hydroxylamine;methanol (CID 159824119) is 2-chloro-6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-piperazin-1-ylthieno[3,2-d]pyrimidine;ethyl 4-bromobutanoate;ethyl 4-[4-[2-chloro-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]piperazin-1-yl]butanoate;ethyl 4-[4-[2-(1H-indazol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]piperazin-1-yl]butanoate;N-hydroxy-4-[4-[2-(1H-indazol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]piperazin-1-yl]butanamide;hydroxylamine;methanol.

What is the SMILES notation for 2-chloro-6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-piperazin-1-ylthieno[3,2-d]pyrimidine;ethyl 4-bromobutanoate;ethyl 4-[4-[2-chloro-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]piperazin-1-yl]butanoate;ethyl 4-[4-[2-(1H-indazol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]piperazin-1-yl]butanoate;N-hydroxy-4-[4-[2-(1H-indazol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]piperazin-1-yl]butanamide;hydroxylamine;methanol?

The canonical SMILES for 2-chloro-6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-piperazin-1-ylthieno[3,2-d]pyrimidine;ethyl 4-bromobutanoate;ethyl 4-[4-[2-chloro-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]piperazin-1-yl]butanoate;ethyl 4-[4-[2-(1H-indazol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]piperazin-1-yl]butanoate;N-hydroxy-4-[4-[2-(1H-indazol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]piperazin-1-yl]butanamide;hydroxylamine;methanol is CCOC(=O)CCCBr.CCOC(=O)CCCN1CCN(c2nc(-c3cccc4[nH]ncc34)nc3cc(CN4CCN(S(C)(=O)=O)CC4)sc23)CC1.CCOC(=O)CCCN1CCN(c2nc(Cl)nc3cc(CN4CCN(S(C)(=O)=O)CC4)sc23)CC1.CO.CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCN(CCCC(=O)NO)CC4)c3s2)CC1.CS(=O)(=O)N1CCN(Cc2cc3nc(Cl)nc(N4CCNCC4)c3s2)CC1.NO.

What is the InChIKey of 2-chloro-6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-piperazin-1-ylthieno[3,2-d]pyrimidine;ethyl 4-bromobutanoate;ethyl 4-[4-[2-chloro-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]piperazin-1-yl]butanoate;ethyl 4-[4-[2-(1H-indazol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]piperazin-1-yl]butanoate;N-hydroxy-4-[4-[2-(1H-indazol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]piperazin-1-yl]butanamide;hydroxylamine;methanol?

The InChIKey is NMPMSHVXYMKZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N8O4S2.C27H35N9O4S2.C22H33ClN6O4S2.C16H23ClN6O2S2.C6H11BrO2.CH4O.H3NO/c1-3-41-26(38)8-5-9-34-10-14-36(15-11-34)29-27-25(31-28(32-29)22-6-4-7-24-23(22)19-30-33-24)18-21(42-27)20-35-12-16-37(17-13-35)43(2,39)40;1-42(39,40)36-14-10-34(11-15-36)18-19-16-23-25(41-19)27(35-12-8-33(9-13-35)7-3-6-24(37)32-38)30-26(29-23)20-4-2-5-22-21(20)17-28-31-22;1-3-33-19(30)5-4-6-26-7-11-28(12-8-26)21-20-18(24-22(23)25-21)15-17(34-20)16-27-9-13-29(14-10-27)35(2,31)32;1-27(24,25)23-8-6-21(7-9-23)11-12-10-13-14(26-12)15(20-16(17)19-13)22-4-2-18-3-5-22;1-2-9-6(8)4-3-5-7;2*1-2/h4,6-7,18-19H,3,5,8-17,20H2,1-2H3,(H,30,33);2,4-5,16-17,38H,3,6-15,18H2,1H3,(H,28,31)(H,32,37);15H,3-14,16H2,1-2H3;10,18H,2-9,11H2,1H3;2-5H2,1H3;2H,1H3;2H,1H2.

What are the key properties of 2-chloro-6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-piperazin-1-ylthieno[3,2-d]pyrimidine;ethyl 4-bromobutanoate;ethyl 4-[4-[2-chloro-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]piperazin-1-yl]butanoate;ethyl 4-[4-[2-(1H-indazol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]piperazin-1-yl]butanoate;N-hydroxy-4-[4-[2-(1H-indazol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]piperazin-1-yl]butanamide;hydroxylamine;methanol?

2-chloro-6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-piperazin-1-ylthieno[3,2-d]pyrimidine;ethyl 4-bromobutanoate;ethyl 4-[4-[2-chloro-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]piperazin-1-yl]butanoate;ethyl 4-[4-[2-(1H-indazol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]piperazin-1-yl]butanoate;N-hydroxy-4-[4-[2-(1H-indazol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]piperazin-1-yl]butanamide;hydroxylamine;methanol has a molecular weight of 2476.82 g/mol, XLogP of 7.88, 36 rotatable bonds, 8 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-piperazin-1-ylthieno[3,2-d]pyrimidine;ethyl 4-bromobutanoate;ethyl 4-[4-[2-chloro-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]piperazin-1-yl]butanoate;ethyl 4-[4-[2-(1H-indazol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]piperazin-1-yl]butanoate;N-hydroxy-4-[4-[2-(1H-indazol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]piperazin-1-yl]butanamide;hydroxylamine;methanol is sourced from PubChem (CID 159824119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).