4-[7-bromo-4-(2,3-dihydro-1H-inden-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;4-[7-bromo-4-(1H-inden-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;2-[1-(difluoroboranylmethyl)piperidin-1-ium-4-yl]propan-2-ol;2-[1-[[4-(2,3-dihydro-1H-inden-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;triethylsilane;fluoride

C81H105BBr2F3N11O5S3Si — CID 160821950

About 4-[7-bromo-4-(2,3-dihydro-1H-inden-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;4-[7-bromo-4-(1H-inden-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;2-[1-(difluoroboranylmethyl)piperidin-1-ium-4-yl]propan-2-ol;2-[1-[[4-(2,3-dihydro-1H-inden-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;triethylsilane;fluoride

4-[7-bromo-4-(2,3-dihydro-1H-inden-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;4-[7-bromo-4-(1H-inden-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;2-[1-(difluoroboranylmethyl)piperidin-1-ium-4-yl]propan-2-ol;2-[1-[[4-(2,3-dihydro-1H-inden-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;triethylsilane;fluoride (PubChem CID 160821950) has the molecular formula C81H105BBr2F3N11O5S3Si and a molecular weight of 1664.70 g/mol. Its IUPAC name is 4-[7-bromo-4-(2,3-dihydro-1H-inden-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;4-[7-bromo-4-(1H-inden-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;2-[1-(difluoroboranylmethyl)piperidin-1-ium-4-yl]propan-2-ol;2-[1-[[4-(2,3-dihydro-1H-inden-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;triethylsilane;fluoride.

Molecular Properties

• Compound Name: 4-[7-bromo-4-(2,3-dihydro-1H-inden-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;4-[7-bromo-4-(1H-inden-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;2-[1-(difluoroboranylmethyl)piperidin-1-ium-4-yl]propan-2-ol;2-[1-[[4-(2,3-dihydro-1H-inden-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;triethylsilane;fluoride
• PubChem CID: 160821950
• Molecular Formula: C81H105BBr2F3N11O5S3Si
• Molecular Weight: 1664.70 g/mol
• Exact Mass: 1661.56
• IUPAC Name: 4-[7-bromo-4-(2,3-dihydro-1H-inden-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;4-[7-bromo-4-(1H-inden-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;2-[1-(difluoroboranylmethyl)piperidin-1-ium-4-yl]propan-2-ol;2-[1-[[4-(2,3-dihydro-1H-inden-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;triethylsilane;fluoride
• SMILES: Brc1csc2c(-c3cccc4c3C=CC4)nc(N3CCOCC3)nc12.Brc1csc2c(-c3cccc4c3CCC4)nc(N3CCOCC3)nc12.CC(C)(O)C1CCN(Cc2csc3c(-c4cccc5c4CCC5)nc(N4CCOCC4)nc23)CC1.CC(C)(O)C1CC[NH+](CB(F)F)CC1.CC[SiH](CC)CC.[F-]
• InChI: InChI=1S/C28H36N4O2S.C19H18BrN3OS.C19H16BrN3OS.C9H18BF2NO.C6H16Si.FH/c1-28(2,33)21-9-11-31(12-10-21)17-20-18-35-26-24(20)29-27(32-13-15-34-16-14-32)30-25(26)23-8-4-6-19-5-3-7-22(19)23;2*20-15-11-25-18-16(14-6-2-4-12-3-1-5-13(12)14)21-19(22-17(15)18)23-7-9-24-10-8-23;1-9(2,14)8-3-5-13(6-4-8)7-10(11)12;1-4-7(5-2)6-3;/h4,6,8,18,21,33H,3,5,7,9-17H2,1-2H3;2,4,6,11H,1,3,5,7-10H2;1-2,4-6,11H,3,7-10H2;8,14H,3-7H2,1-2H3;7H,4-6H2,1-3H3;1H
• InChIKey: SFQWDSATNRRDNB-UHFFFAOYSA-N
• XLogP: 12.94
• TPSA: 162.89 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 15
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1664.70
LogP ≤ 5	12.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[7-bromo-4-(2,3-dihydro-1H-inden-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;4-[7-bromo-4-(1H-inden-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;2-[1-(difluoroboranylmethyl)piperidin-1-ium-4-yl]propan-2-ol;2-[1-[[4-(2,3-dihydro-1H-inden-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;triethylsilane;fluoride?

The IUPAC name of 4-[7-bromo-4-(2,3-dihydro-1H-inden-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;4-[7-bromo-4-(1H-inden-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;2-[1-(difluoroboranylmethyl)piperidin-1-ium-4-yl]propan-2-ol;2-[1-[[4-(2,3-dihydro-1H-inden-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;triethylsilane;fluoride (CID 160821950) is 4-[7-bromo-4-(2,3-dihydro-1H-inden-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;4-[7-bromo-4-(1H-inden-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;2-[1-(difluoroboranylmethyl)piperidin-1-ium-4-yl]propan-2-ol;2-[1-[[4-(2,3-dihydro-1H-inden-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;triethylsilane;fluoride.

What is the SMILES notation for 4-[7-bromo-4-(2,3-dihydro-1H-inden-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;4-[7-bromo-4-(1H-inden-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;2-[1-(difluoroboranylmethyl)piperidin-1-ium-4-yl]propan-2-ol;2-[1-[[4-(2,3-dihydro-1H-inden-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;triethylsilane;fluoride?

The canonical SMILES for 4-[7-bromo-4-(2,3-dihydro-1H-inden-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;4-[7-bromo-4-(1H-inden-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;2-[1-(difluoroboranylmethyl)piperidin-1-ium-4-yl]propan-2-ol;2-[1-[[4-(2,3-dihydro-1H-inden-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;triethylsilane;fluoride is Brc1csc2c(-c3cccc4c3C=CC4)nc(N3CCOCC3)nc12.Brc1csc2c(-c3cccc4c3CCC4)nc(N3CCOCC3)nc12.CC(C)(O)C1CCN(Cc2csc3c(-c4cccc5c4CCC5)nc(N4CCOCC4)nc23)CC1.CC(C)(O)C1CC[NH+](CB(F)F)CC1.CC[SiH](CC)CC.[F-].

What is the InChIKey of 4-[7-bromo-4-(2,3-dihydro-1H-inden-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;4-[7-bromo-4-(1H-inden-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;2-[1-(difluoroboranylmethyl)piperidin-1-ium-4-yl]propan-2-ol;2-[1-[[4-(2,3-dihydro-1H-inden-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;triethylsilane;fluoride?

The InChIKey is SFQWDSATNRRDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O2S.C19H18BrN3OS.C19H16BrN3OS.C9H18BF2NO.C6H16Si.FH/c1-28(2,33)21-9-11-31(12-10-21)17-20-18-35-26-24(20)29-27(32-13-15-34-16-14-32)30-25(26)23-8-4-6-19-5-3-7-22(19)23;2*20-15-11-25-18-16(14-6-2-4-12-3-1-5-13(12)14)21-19(22-17(15)18)23-7-9-24-10-8-23;1-9(2,14)8-3-5-13(6-4-8)7-10(11)12;1-4-7(5-2)6-3;/h4,6,8,18,21,33H,3,5,7,9-17H2,1-2H3;2,4,6,11H,1,3,5,7-10H2;1-2,4-6,11H,3,7-10H2;8,14H,3-7H2,1-2H3;7H,4-6H2,1-3H3;1H.

What are the key properties of 4-[7-bromo-4-(2,3-dihydro-1H-inden-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;4-[7-bromo-4-(1H-inden-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;2-[1-(difluoroboranylmethyl)piperidin-1-ium-4-yl]propan-2-ol;2-[1-[[4-(2,3-dihydro-1H-inden-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;triethylsilane;fluoride?

4-[7-bromo-4-(2,3-dihydro-1H-inden-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;4-[7-bromo-4-(1H-inden-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;2-[1-(difluoroboranylmethyl)piperidin-1-ium-4-yl]propan-2-ol;2-[1-[[4-(2,3-dihydro-1H-inden-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;triethylsilane;fluoride has a molecular weight of 1664.70 g/mol, XLogP of 12.94, 15 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[7-bromo-4-(2,3-dihydro-1H-inden-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;4-[7-bromo-4-(1H-inden-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;2-[1-(difluoroboranylmethyl)piperidin-1-ium-4-yl]propan-2-ol;2-[1-[[4-(2,3-dihydro-1H-inden-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;triethylsilane;fluoride is sourced from PubChem (CID 160821950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).