2-[4-(3-chlorophenyl)piperidin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;1-[4-(3-fluoroanilino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidine-4-carbonitrile;N-(3-fluorophenyl)-2-[4-(4-methyl-1,3-oxazol-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane;2-[4-(3-methylphenyl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

C93H104ClF3N18O6S4 — CID 160768906

About 2-[4-(3-chlorophenyl)piperidin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;1-[4-(3-fluoroanilino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidine-4-carbonitrile;N-(3-fluorophenyl)-2-[4-(4-methyl-1,3-oxazol-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane;2-[4-(3-methylphenyl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

2-[4-(3-chlorophenyl)piperidin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;1-[4-(3-fluoroanilino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidine-4-carbonitrile;N-(3-fluorophenyl)-2-[4-(4-methyl-1,3-oxazol-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane;2-[4-(3-methylphenyl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (PubChem CID 160768906) has the molecular formula C93H104ClF3N18O6S4 and a molecular weight of 1790.69 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)piperidin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;1-[4-(3-fluoroanilino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidine-4-carbonitrile;N-(3-fluorophenyl)-2-[4-(4-methyl-1,3-oxazol-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane;2-[4-(3-methylphenyl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 2-[4-(3-chlorophenyl)piperidin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;1-[4-(3-fluoroanilino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidine-4-carbonitrile;N-(3-fluorophenyl)-2-[4-(4-methyl-1,3-oxazol-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane;2-[4-(3-methylphenyl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
• PubChem CID: 160768906
• Molecular Formula: C93H104ClF3N18O6S4
• Molecular Weight: 1790.69 g/mol
• Exact Mass: 1788.69
• IUPAC Name: 2-[4-(3-chlorophenyl)piperidin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;1-[4-(3-fluoroanilino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidine-4-carbonitrile;N-(3-fluorophenyl)-2-[4-(4-methyl-1,3-oxazol-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane;2-[4-(3-methylphenyl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
• SMILES: C.C.Cc1cccc(C2CCN(c3nc4c(c(NC5CCOCC5)n3)S(=O)CC4)CC2)c1.Cc1coc(C2CCN(c3nc4c(c(Nc5cccc(F)c5)n3)S(=O)CC4)CC2)n1.N#CC1(c2ccccc2)CCN(c2nc3c(c(Nc4cccc(F)c4)n2)S(=O)CC3)CC1.O=S1CCc2nc(N3CCC(c4cccc(Cl)c4)CC3)nc(Nc3cccc(F)c3)c21
• InChI: InChI=1S/C24H22FN5OS.C23H22ClFN4OS.C23H30N4O2S.C21H22FN5O2S.2CH4/c25-18-7-4-8-19(15-18)27-22-21-20(9-14-32(21)31)28-23(29-22)30-12-10-24(16-26,11-13-30)17-5-2-1-3-6-17;24-17-4-1-3-16(13-17)15-7-10-29(11-8-15)23-27-20-9-12-31(30)21(20)22(28-23)26-19-6-2-5-18(25)14-19;1-16-3-2-4-18(15-16)17-5-10-27(11-6-17)23-25-20-9-14-30(28)21(20)22(26-23)24-19-7-12-29-13-8-19;1-13-12-29-20(23-13)14-5-8-27(9-6-14)21-25-17-7-10-30(28)18(17)19(26-21)24-16-4-2-3-15(22)11-16;;/h1-8,15H,9-14H2,(H,27,28,29);1-6,13-15H,7-12H2,(H,26,27,28);2-4,15,17,19H,5-14H2,1H3,(H,24,25,26);2-4,11-12,14H,5-10H2,1H3,(H,24,25,26);2*1H4
• InChIKey: RZAXYMKVBJCDFY-UHFFFAOYSA-N
• XLogP: 17.54
• TPSA: 291.53 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 16
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1790.69
LogP ≤ 5	17.54
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)piperidin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;1-[4-(3-fluoroanilino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidine-4-carbonitrile;N-(3-fluorophenyl)-2-[4-(4-methyl-1,3-oxazol-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane;2-[4-(3-methylphenyl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?

The IUPAC name of 2-[4-(3-chlorophenyl)piperidin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;1-[4-(3-fluoroanilino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidine-4-carbonitrile;N-(3-fluorophenyl)-2-[4-(4-methyl-1,3-oxazol-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane;2-[4-(3-methylphenyl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (CID 160768906) is 2-[4-(3-chlorophenyl)piperidin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;1-[4-(3-fluoroanilino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidine-4-carbonitrile;N-(3-fluorophenyl)-2-[4-(4-methyl-1,3-oxazol-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane;2-[4-(3-methylphenyl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.

What is the SMILES notation for 2-[4-(3-chlorophenyl)piperidin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;1-[4-(3-fluoroanilino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidine-4-carbonitrile;N-(3-fluorophenyl)-2-[4-(4-methyl-1,3-oxazol-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane;2-[4-(3-methylphenyl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?

The canonical SMILES for 2-[4-(3-chlorophenyl)piperidin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;1-[4-(3-fluoroanilino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidine-4-carbonitrile;N-(3-fluorophenyl)-2-[4-(4-methyl-1,3-oxazol-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane;2-[4-(3-methylphenyl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is C.C.Cc1cccc(C2CCN(c3nc4c(c(NC5CCOCC5)n3)S(=O)CC4)CC2)c1.Cc1coc(C2CCN(c3nc4c(c(Nc5cccc(F)c5)n3)S(=O)CC4)CC2)n1.N#CC1(c2ccccc2)CCN(c2nc3c(c(Nc4cccc(F)c4)n2)S(=O)CC3)CC1.O=S1CCc2nc(N3CCC(c4cccc(Cl)c4)CC3)nc(Nc3cccc(F)c3)c21.

What is the InChIKey of 2-[4-(3-chlorophenyl)piperidin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;1-[4-(3-fluoroanilino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidine-4-carbonitrile;N-(3-fluorophenyl)-2-[4-(4-methyl-1,3-oxazol-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane;2-[4-(3-methylphenyl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?

The InChIKey is RZAXYMKVBJCDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5OS.C23H22ClFN4OS.C23H30N4O2S.C21H22FN5O2S.2CH4/c25-18-7-4-8-19(15-18)27-22-21-20(9-14-32(21)31)28-23(29-22)30-12-10-24(16-26,11-13-30)17-5-2-1-3-6-17;24-17-4-1-3-16(13-17)15-7-10-29(11-8-15)23-27-20-9-12-31(30)21(20)22(28-23)26-19-6-2-5-18(25)14-19;1-16-3-2-4-18(15-16)17-5-10-27(11-6-17)23-25-20-9-14-30(28)21(20)22(26-23)24-19-7-12-29-13-8-19;1-13-12-29-20(23-13)14-5-8-27(9-6-14)21-25-17-7-10-30(28)18(17)19(26-21)24-16-4-2-3-15(22)11-16;;/h1-8,15H,9-14H2,(H,27,28,29);1-6,13-15H,7-12H2,(H,26,27,28);2-4,15,17,19H,5-14H2,1H3,(H,24,25,26);2-4,11-12,14H,5-10H2,1H3,(H,24,25,26);2*1H4.

What are the key properties of 2-[4-(3-chlorophenyl)piperidin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;1-[4-(3-fluoroanilino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidine-4-carbonitrile;N-(3-fluorophenyl)-2-[4-(4-methyl-1,3-oxazol-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane;2-[4-(3-methylphenyl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?

2-[4-(3-chlorophenyl)piperidin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;1-[4-(3-fluoroanilino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidine-4-carbonitrile;N-(3-fluorophenyl)-2-[4-(4-methyl-1,3-oxazol-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane;2-[4-(3-methylphenyl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine has a molecular weight of 1790.69 g/mol, XLogP of 17.54, 16 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(3-chlorophenyl)piperidin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;1-[4-(3-fluoroanilino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidine-4-carbonitrile;N-(3-fluorophenyl)-2-[4-(4-methyl-1,3-oxazol-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane;2-[4-(3-methylphenyl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 160768906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).