N-[5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;1-ethyl-4-(2-methoxypropan-2-yl)piperidin-1-ium;N-[2-methoxy-5-[7-[[4-(2-methoxypropan-2-yl)piperidin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide

C57H84BrN12O10S4+ — CID 159302253

About N-[5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;1-ethyl-4-(2-methoxypropan-2-yl)piperidin-1-ium;N-[2-methoxy-5-[7-[[4-(2-methoxypropan-2-yl)piperidin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide

N-[5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;1-ethyl-4-(2-methoxypropan-2-yl)piperidin-1-ium;N-[2-methoxy-5-[7-[[4-(2-methoxypropan-2-yl)piperidin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide (PubChem CID 159302253) has the molecular formula C57H84BrN12O10S4+ and a molecular weight of 1305.54 g/mol. Its IUPAC name is N-[5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;1-ethyl-4-(2-methoxypropan-2-yl)piperidin-1-ium;N-[2-methoxy-5-[7-[[4-(2-methoxypropan-2-yl)piperidin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;1-ethyl-4-(2-methoxypropan-2-yl)piperidin-1-ium;N-[2-methoxy-5-[7-[[4-(2-methoxypropan-2-yl)piperidin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide
• PubChem CID: 159302253
• Molecular Formula: C57H84BrN12O10S4+
• Molecular Weight: 1305.54 g/mol
• Exact Mass: 1303.45
• IUPAC Name: N-[5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;1-ethyl-4-(2-methoxypropan-2-yl)piperidin-1-ium;N-[2-methoxy-5-[7-[[4-(2-methoxypropan-2-yl)piperidin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide
• SMILES: CC[NH+]1CCC(C(C)(C)OC)CC1.COc1ncc(-c2nc(N3CCOCC3)nc3c(Br)c(C)sc23)cc1NS(C)(=O)=O.COc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCC(C(C)(C)OC)CC4)c(C)sc23)cc1NS(C)(=O)=O
• InChI: InChI=1S/C28H40N6O5S2.C18H20BrN5O4S2.C11H23NO/c1-18-21(17-33-9-7-20(8-10-33)28(2,3)38-5)24-25(40-18)23(30-27(31-24)34-11-13-39-14-12-34)19-15-22(32-41(6,35)36)26(37-4)29-16-19;1-10-13(19)15-16(29-10)14(21-18(22-15)24-4-6-28-7-5-24)11-8-12(23-30(3,25)26)17(27-2)20-9-11;1-5-12-8-6-10(7-9-12)11(2,3)13-4/h15-16,20,32H,7-14,17H2,1-6H3;8-9,23H,4-7H2,1-3H3;10H,5-9H2,1-4H3/p+1
• InChIKey: LBMBVYDYFUDMMG-UHFFFAOYSA-O
• XLogP: 7.68
• TPSA: 239.22 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 17
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1305.54
LogP ≤ 5	7.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of N-[5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;1-ethyl-4-(2-methoxypropan-2-yl)piperidin-1-ium;N-[2-methoxy-5-[7-[[4-(2-methoxypropan-2-yl)piperidin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide?

The IUPAC name of N-[5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;1-ethyl-4-(2-methoxypropan-2-yl)piperidin-1-ium;N-[2-methoxy-5-[7-[[4-(2-methoxypropan-2-yl)piperidin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide (CID 159302253) is N-[5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;1-ethyl-4-(2-methoxypropan-2-yl)piperidin-1-ium;N-[2-methoxy-5-[7-[[4-(2-methoxypropan-2-yl)piperidin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide.

What is the SMILES notation for N-[5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;1-ethyl-4-(2-methoxypropan-2-yl)piperidin-1-ium;N-[2-methoxy-5-[7-[[4-(2-methoxypropan-2-yl)piperidin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide?

The canonical SMILES for N-[5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;1-ethyl-4-(2-methoxypropan-2-yl)piperidin-1-ium;N-[2-methoxy-5-[7-[[4-(2-methoxypropan-2-yl)piperidin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide is CC[NH+]1CCC(C(C)(C)OC)CC1.COc1ncc(-c2nc(N3CCOCC3)nc3c(Br)c(C)sc23)cc1NS(C)(=O)=O.COc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCC(C(C)(C)OC)CC4)c(C)sc23)cc1NS(C)(=O)=O.

What is the InChIKey of N-[5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;1-ethyl-4-(2-methoxypropan-2-yl)piperidin-1-ium;N-[2-methoxy-5-[7-[[4-(2-methoxypropan-2-yl)piperidin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide?

The InChIKey is LBMBVYDYFUDMMG-UHFFFAOYSA-O. The full InChI is InChI=1S/C28H40N6O5S2.C18H20BrN5O4S2.C11H23NO/c1-18-21(17-33-9-7-20(8-10-33)28(2,3)38-5)24-25(40-18)23(30-27(31-24)34-11-13-39-14-12-34)19-15-22(32-41(6,35)36)26(37-4)29-16-19;1-10-13(19)15-16(29-10)14(21-18(22-15)24-4-6-28-7-5-24)11-8-12(23-30(3,25)26)17(27-2)20-9-11;1-5-12-8-6-10(7-9-12)11(2,3)13-4/h15-16,20,32H,7-14,17H2,1-6H3;8-9,23H,4-7H2,1-3H3;10H,5-9H2,1-4H3/p+1.

What are the key properties of N-[5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;1-ethyl-4-(2-methoxypropan-2-yl)piperidin-1-ium;N-[2-methoxy-5-[7-[[4-(2-methoxypropan-2-yl)piperidin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide?

N-[5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;1-ethyl-4-(2-methoxypropan-2-yl)piperidin-1-ium;N-[2-methoxy-5-[7-[[4-(2-methoxypropan-2-yl)piperidin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide has a molecular weight of 1305.54 g/mol, XLogP of 7.68, 17 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;1-ethyl-4-(2-methoxypropan-2-yl)piperidin-1-ium;N-[2-methoxy-5-[7-[[4-(2-methoxypropan-2-yl)piperidin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 159302253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).