2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane;2-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-(4-naphthalen-2-ylpiperidin-1-yl)-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

C101H128N18O11S4 — CID 158412027

About 2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane;2-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-(4-naphthalen-2-ylpiperidin-1-yl)-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane;2-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-(4-naphthalen-2-ylpiperidin-1-yl)-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (PubChem CID 158412027) has the molecular formula C101H128N18O11S4 and a molecular weight of 1898.52 g/mol. Its IUPAC name is 2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane;2-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-(4-naphthalen-2-ylpiperidin-1-yl)-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane;2-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-(4-naphthalen-2-ylpiperidin-1-yl)-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
• PubChem CID: 158412027
• Molecular Formula: C101H128N18O11S4
• Molecular Weight: 1898.52 g/mol
• Exact Mass: 1896.89
• IUPAC Name: 2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane;2-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-(4-naphthalen-2-ylpiperidin-1-yl)-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
• SMILES: C.C.C.Cc1ccc(-c2nnc(C3CCN(c4nc5c(c(NC6CCOCC6)n4)S(=O)CC5)CC3)o2)cc1.O=S1CCc2nc(N3CCC(c4cc5ccccc5o4)CC3)nc(NC3CCOCC3)c21.O=S1CCc2nc(N3CCC(c4ccc5ccccc5c4)CC3)nc(NC3CCOCC3)c21.O=S1CCc2nc(N3CCC4(CC3)OCc3ccccc34)nc(NC3CCOCC3)c21
• InChI: InChI=1S/C26H30N4O2S.C25H30N6O3S.C24H28N4O3S.C23H28N4O3S.3CH4/c31-33-16-11-23-24(33)25(27-22-9-14-32-15-10-22)29-26(28-23)30-12-7-19(8-13-30)21-6-5-18-3-1-2-4-20(18)17-21;1-16-2-4-17(5-3-16)23-29-30-24(34-23)18-6-11-31(12-7-18)25-27-20-10-15-35(32)21(20)22(28-25)26-19-8-13-33-14-9-19;29-32-14-9-19-22(32)23(25-18-7-12-30-13-8-18)27-24(26-19)28-10-5-16(6-11-28)21-15-17-3-1-2-4-20(17)31-21;28-31-14-7-19-20(31)21(24-17-5-12-29-13-6-17)26-22(25-19)27-10-8-23(9-11-27)18-4-2-1-3-16(18)15-30-23;;;/h1-6,17,19,22H,7-16H2,(H,27,28,29);2-5,18-19H,6-15H2,1H3,(H,26,27,28);1-4,15-16,18H,5-14H2,(H,25,26,27);1-4,17H,5-15H2,(H,24,25,26);3*1H4
• InChIKey: GZKVOSAPNDPYRB-UHFFFAOYSA-N
• XLogP: 16.27
• TPSA: 330.69 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 29
• Rotatable Bonds: 16
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1898.52
LogP ≤ 5	16.27
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane;2-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-(4-naphthalen-2-ylpiperidin-1-yl)-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?

The IUPAC name of 2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane;2-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-(4-naphthalen-2-ylpiperidin-1-yl)-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (CID 158412027) is 2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane;2-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-(4-naphthalen-2-ylpiperidin-1-yl)-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.

What is the SMILES notation for 2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane;2-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-(4-naphthalen-2-ylpiperidin-1-yl)-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?

The canonical SMILES for 2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane;2-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-(4-naphthalen-2-ylpiperidin-1-yl)-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is C.C.C.Cc1ccc(-c2nnc(C3CCN(c4nc5c(c(NC6CCOCC6)n4)S(=O)CC5)CC3)o2)cc1.O=S1CCc2nc(N3CCC(c4cc5ccccc5o4)CC3)nc(NC3CCOCC3)c21.O=S1CCc2nc(N3CCC(c4ccc5ccccc5c4)CC3)nc(NC3CCOCC3)c21.O=S1CCc2nc(N3CCC4(CC3)OCc3ccccc34)nc(NC3CCOCC3)c21.

What is the InChIKey of 2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane;2-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-(4-naphthalen-2-ylpiperidin-1-yl)-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?

The InChIKey is GZKVOSAPNDPYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2S.C25H30N6O3S.C24H28N4O3S.C23H28N4O3S.3CH4/c31-33-16-11-23-24(33)25(27-22-9-14-32-15-10-22)29-26(28-23)30-12-7-19(8-13-30)21-6-5-18-3-1-2-4-20(18)17-21;1-16-2-4-17(5-3-16)23-29-30-24(34-23)18-6-11-31(12-7-18)25-27-20-10-15-35(32)21(20)22(28-25)26-19-8-13-33-14-9-19;29-32-14-9-19-22(32)23(25-18-7-12-30-13-8-18)27-24(26-19)28-10-5-16(6-11-28)21-15-17-3-1-2-4-20(17)31-21;28-31-14-7-19-20(31)21(24-17-5-12-29-13-6-17)26-22(25-19)27-10-8-23(9-11-27)18-4-2-1-3-16(18)15-30-23;;;/h1-6,17,19,22H,7-16H2,(H,27,28,29);2-5,18-19H,6-15H2,1H3,(H,26,27,28);1-4,15-16,18H,5-14H2,(H,25,26,27);1-4,17H,5-15H2,(H,24,25,26);3*1H4.

What are the key properties of 2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane;2-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-(4-naphthalen-2-ylpiperidin-1-yl)-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?

2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane;2-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-(4-naphthalen-2-ylpiperidin-1-yl)-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine has a molecular weight of 1898.52 g/mol, XLogP of 16.27, 16 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane;2-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-(4-naphthalen-2-ylpiperidin-1-yl)-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 158412027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).