N-(4-aminobutyl)-4-[4-fluoro-2-(oxan-4-yloxy)anilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide;N-[3-(dimethylamino)propyl]-4-[4-fluoro-2-(oxan-4-yloxy)anilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide;4-[4-fluoro-2-(oxan-4-yloxy)anilino]-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide;4-[4-fluoro-2-(oxan-4-yloxy)anilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide;4-[4-fluoro-2-(oxan-4-yloxy)anilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid;4-(4-fluoro-2-propan-2-yloxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid

C122H132F6N24O19S6 — CID 157079161

About N-(4-aminobutyl)-4-[4-fluoro-2-(oxan-4-yloxy)anilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide;N-[3-(dimethylamino)propyl]-4-[4-fluoro-2-(oxan-4-yloxy)anilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide;4-[4-fluoro-2-(oxan-4-yloxy)anilino]-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide;4-[4-fluoro-2-(oxan-4-yloxy)anilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide;4-[4-fluoro-2-(oxan-4-yloxy)anilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid;4-(4-fluoro-2-propan-2-yloxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid

N-(4-aminobutyl)-4-[4-fluoro-2-(oxan-4-yloxy)anilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide;N-[3-(dimethylamino)propyl]-4-[4-fluoro-2-(oxan-4-yloxy)anilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide;4-[4-fluoro-2-(oxan-4-yloxy)anilino]-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide;4-[4-fluoro-2-(oxan-4-yloxy)anilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide;4-[4-fluoro-2-(oxan-4-yloxy)anilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid;4-(4-fluoro-2-propan-2-yloxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 157079161) has the molecular formula C122H132F6N24O19S6 and a molecular weight of 2544.94 g/mol. Its IUPAC name is N-(4-aminobutyl)-4-[4-fluoro-2-(oxan-4-yloxy)anilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide;N-[3-(dimethylamino)propyl]-4-[4-fluoro-2-(oxan-4-yloxy)anilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide;4-[4-fluoro-2-(oxan-4-yloxy)anilino]-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide;4-[4-fluoro-2-(oxan-4-yloxy)anilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide;4-[4-fluoro-2-(oxan-4-yloxy)anilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid;4-(4-fluoro-2-propan-2-yloxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

• Compound Name: N-(4-aminobutyl)-4-[4-fluoro-2-(oxan-4-yloxy)anilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide;N-[3-(dimethylamino)propyl]-4-[4-fluoro-2-(oxan-4-yloxy)anilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide;4-[4-fluoro-2-(oxan-4-yloxy)anilino]-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide;4-[4-fluoro-2-(oxan-4-yloxy)anilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide;4-[4-fluoro-2-(oxan-4-yloxy)anilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid;4-(4-fluoro-2-propan-2-yloxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
• PubChem CID: 157079161
• Molecular Formula: C122H132F6N24O19S6
• Molecular Weight: 2544.94 g/mol
• Exact Mass: 2542.83
• IUPAC Name: N-(4-aminobutyl)-4-[4-fluoro-2-(oxan-4-yloxy)anilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide;N-[3-(dimethylamino)propyl]-4-[4-fluoro-2-(oxan-4-yloxy)anilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide;4-[4-fluoro-2-(oxan-4-yloxy)anilino]-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide;4-[4-fluoro-2-(oxan-4-yloxy)anilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide;4-[4-fluoro-2-(oxan-4-yloxy)anilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid;4-(4-fluoro-2-propan-2-yloxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
• SMILES: CNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC3CCOCC3)c2c1C.Cc1c(C(=O)NCCCCN)sc2ncnc(Nc3ccc(F)cc3OC3CCOCC3)c12.Cc1c(C(=O)NCCCN(C)C)sc2ncnc(Nc3ccc(F)cc3OC3CCOCC3)c12.Cc1c(C(=O)O)sc2ncnc(Nc3ccc(F)cc3OC(C)C)c12.Cc1c(C(=O)O)sc2ncnc(Nc3ccc(F)cc3OC3CCOCC3)c12.Cc1c(C(N)=O)sc2ncnc(Nc3ccc(F)cc3OC3CCOCC3)c12
• InChI: InChI=1S/C24H30FN5O3S.C23H28FN5O3S.C20H21FN4O3S.C19H19FN4O3S.C19H18FN3O4S.C17H16FN3O3S/c1-15-20-22(27-14-28-24(20)34-21(15)23(31)26-9-4-10-30(2)3)29-18-6-5-16(25)13-19(18)33-17-7-11-32-12-8-17;1-14-19-21(27-13-28-23(19)33-20(14)22(30)26-9-3-2-8-25)29-17-5-4-15(24)12-18(17)32-16-6-10-31-11-7-16;1-11-16-18(23-10-24-20(16)29-17(11)19(26)22-2)25-14-4-3-12(21)9-15(14)28-13-5-7-27-8-6-13;1-10-15-18(22-9-23-19(15)28-16(10)17(21)25)24-13-3-2-11(20)8-14(13)27-12-4-6-26-7-5-12;1-10-15-17(21-9-22-18(15)28-16(10)19(24)25)23-13-3-2-11(20)8-14(13)27-12-4-6-26-7-5-12;1-8(2)24-12-6-10(18)4-5-11(12)21-15-13-9(3)14(17(22)23)25-16(13)20-7-19-15/h5-6,13-14,17H,4,7-12H2,1-3H3,(H,26,31)(H,27,28,29);4-5,12-13,16H,2-3,6-11,25H2,1H3,(H,26,30)(H,27,28,29);3-4,9-10,13H,5-8H2,1-2H3,(H,22,26)(H,23,24,25);2-3,8-9,12H,4-7H2,1H3,(H2,21,25)(H,22,23,24);2-3,8-9,12H,4-7H2,1H3,(H,24,25)(H,21,22,23);4-8H,1-3H3,(H,22,23)(H,19,20,21)
• InChIKey: ADIBVIIQBDUVDI-UHFFFAOYSA-N
• XLogP: 23.88
• TPSA: 562.64 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 43
• Rotatable Bonds: 38
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2544.94
LogP ≤ 5	23.88
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)-4-[4-fluoro-2-(oxan-4-yloxy)anilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide;N-[3-(dimethylamino)propyl]-4-[4-fluoro-2-(oxan-4-yloxy)anilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide;4-[4-fluoro-2-(oxan-4-yloxy)anilino]-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide;4-[4-fluoro-2-(oxan-4-yloxy)anilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide;4-[4-fluoro-2-(oxan-4-yloxy)anilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid;4-(4-fluoro-2-propan-2-yloxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid?

The IUPAC name of N-(4-aminobutyl)-4-[4-fluoro-2-(oxan-4-yloxy)anilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide;N-[3-(dimethylamino)propyl]-4-[4-fluoro-2-(oxan-4-yloxy)anilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide;4-[4-fluoro-2-(oxan-4-yloxy)anilino]-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide;4-[4-fluoro-2-(oxan-4-yloxy)anilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide;4-[4-fluoro-2-(oxan-4-yloxy)anilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid;4-(4-fluoro-2-propan-2-yloxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid (CID 157079161) is N-(4-aminobutyl)-4-[4-fluoro-2-(oxan-4-yloxy)anilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide;N-[3-(dimethylamino)propyl]-4-[4-fluoro-2-(oxan-4-yloxy)anilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide;4-[4-fluoro-2-(oxan-4-yloxy)anilino]-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide;4-[4-fluoro-2-(oxan-4-yloxy)anilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide;4-[4-fluoro-2-(oxan-4-yloxy)anilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid;4-(4-fluoro-2-propan-2-yloxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid.

What is the SMILES notation for N-(4-aminobutyl)-4-[4-fluoro-2-(oxan-4-yloxy)anilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide;N-[3-(dimethylamino)propyl]-4-[4-fluoro-2-(oxan-4-yloxy)anilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide;4-[4-fluoro-2-(oxan-4-yloxy)anilino]-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide;4-[4-fluoro-2-(oxan-4-yloxy)anilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide;4-[4-fluoro-2-(oxan-4-yloxy)anilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid;4-(4-fluoro-2-propan-2-yloxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid?

The canonical SMILES for N-(4-aminobutyl)-4-[4-fluoro-2-(oxan-4-yloxy)anilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide;N-[3-(dimethylamino)propyl]-4-[4-fluoro-2-(oxan-4-yloxy)anilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide;4-[4-fluoro-2-(oxan-4-yloxy)anilino]-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide;4-[4-fluoro-2-(oxan-4-yloxy)anilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide;4-[4-fluoro-2-(oxan-4-yloxy)anilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid;4-(4-fluoro-2-propan-2-yloxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid is CNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC3CCOCC3)c2c1C.Cc1c(C(=O)NCCCCN)sc2ncnc(Nc3ccc(F)cc3OC3CCOCC3)c12.Cc1c(C(=O)NCCCN(C)C)sc2ncnc(Nc3ccc(F)cc3OC3CCOCC3)c12.Cc1c(C(=O)O)sc2ncnc(Nc3ccc(F)cc3OC(C)C)c12.Cc1c(C(=O)O)sc2ncnc(Nc3ccc(F)cc3OC3CCOCC3)c12.Cc1c(C(N)=O)sc2ncnc(Nc3ccc(F)cc3OC3CCOCC3)c12.

What is the InChIKey of N-(4-aminobutyl)-4-[4-fluoro-2-(oxan-4-yloxy)anilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide;N-[3-(dimethylamino)propyl]-4-[4-fluoro-2-(oxan-4-yloxy)anilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide;4-[4-fluoro-2-(oxan-4-yloxy)anilino]-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide;4-[4-fluoro-2-(oxan-4-yloxy)anilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide;4-[4-fluoro-2-(oxan-4-yloxy)anilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid;4-(4-fluoro-2-propan-2-yloxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid?

The InChIKey is ADIBVIIQBDUVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN5O3S.C23H28FN5O3S.C20H21FN4O3S.C19H19FN4O3S.C19H18FN3O4S.C17H16FN3O3S/c1-15-20-22(27-14-28-24(20)34-21(15)23(31)26-9-4-10-30(2)3)29-18-6-5-16(25)13-19(18)33-17-7-11-32-12-8-17;1-14-19-21(27-13-28-23(19)33-20(14)22(30)26-9-3-2-8-25)29-17-5-4-15(24)12-18(17)32-16-6-10-31-11-7-16;1-11-16-18(23-10-24-20(16)29-17(11)19(26)22-2)25-14-4-3-12(21)9-15(14)28-13-5-7-27-8-6-13;1-10-15-18(22-9-23-19(15)28-16(10)17(21)25)24-13-3-2-11(20)8-14(13)27-12-4-6-26-7-5-12;1-10-15-17(21-9-22-18(15)28-16(10)19(24)25)23-13-3-2-11(20)8-14(13)27-12-4-6-26-7-5-12;1-8(2)24-12-6-10(18)4-5-11(12)21-15-13-9(3)14(17(22)23)25-16(13)20-7-19-15/h5-6,13-14,17H,4,7-12H2,1-3H3,(H,26,31)(H,27,28,29);4-5,12-13,16H,2-3,6-11,25H2,1H3,(H,26,30)(H,27,28,29);3-4,9-10,13H,5-8H2,1-2H3,(H,22,26)(H,23,24,25);2-3,8-9,12H,4-7H2,1H3,(H2,21,25)(H,22,23,24);2-3,8-9,12H,4-7H2,1H3,(H,24,25)(H,21,22,23);4-8H,1-3H3,(H,22,23)(H,19,20,21).

What are the key properties of N-(4-aminobutyl)-4-[4-fluoro-2-(oxan-4-yloxy)anilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide;N-[3-(dimethylamino)propyl]-4-[4-fluoro-2-(oxan-4-yloxy)anilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide;4-[4-fluoro-2-(oxan-4-yloxy)anilino]-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide;4-[4-fluoro-2-(oxan-4-yloxy)anilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide;4-[4-fluoro-2-(oxan-4-yloxy)anilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid;4-(4-fluoro-2-propan-2-yloxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid?

N-(4-aminobutyl)-4-[4-fluoro-2-(oxan-4-yloxy)anilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide;N-[3-(dimethylamino)propyl]-4-[4-fluoro-2-(oxan-4-yloxy)anilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide;4-[4-fluoro-2-(oxan-4-yloxy)anilino]-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide;4-[4-fluoro-2-(oxan-4-yloxy)anilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide;4-[4-fluoro-2-(oxan-4-yloxy)anilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid;4-(4-fluoro-2-propan-2-yloxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 2544.94 g/mol, XLogP of 23.88, 38 rotatable bonds, 13 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-aminobutyl)-4-[4-fluoro-2-(oxan-4-yloxy)anilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide;N-[3-(dimethylamino)propyl]-4-[4-fluoro-2-(oxan-4-yloxy)anilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide;4-[4-fluoro-2-(oxan-4-yloxy)anilino]-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide;4-[4-fluoro-2-(oxan-4-yloxy)anilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide;4-[4-fluoro-2-(oxan-4-yloxy)anilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid;4-(4-fluoro-2-propan-2-yloxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 157079161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).