3-butan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;2-chloro-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzoic acid;3-cyclopentyl-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;N-(4-fluoro-2-propan-2-yloxyphenyl)thieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine

C92H80ClF5N22O7S6 — CID 159546846

About 3-butan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;2-chloro-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzoic acid;3-cyclopentyl-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;N-(4-fluoro-2-propan-2-yloxyphenyl)thieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine

3-butan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;2-chloro-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzoic acid;3-cyclopentyl-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;N-(4-fluoro-2-propan-2-yloxyphenyl)thieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 159546846) has the molecular formula C92H80ClF5N22O7S6 and a molecular weight of 1928.64 g/mol. Its IUPAC name is 3-butan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;2-chloro-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzoic acid;3-cyclopentyl-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;N-(4-fluoro-2-propan-2-yloxyphenyl)thieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 3-butan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;2-chloro-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzoic acid;3-cyclopentyl-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;N-(4-fluoro-2-propan-2-yloxyphenyl)thieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine
• PubChem CID: 159546846
• Molecular Formula: C92H80ClF5N22O7S6
• Molecular Weight: 1928.64 g/mol
• Exact Mass: 1926.45
• IUPAC Name: 3-butan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;2-chloro-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzoic acid;3-cyclopentyl-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;N-(4-fluoro-2-propan-2-yloxyphenyl)thieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine
• SMILES: CC(C)Oc1cc(F)ccc1Nc1ncnc2ccsc12.CCC(C)Oc1cc(C(N)=O)ccc1Nc1ncnc2ccsc12.Cc1csc2c(Nc3ccc4[nH]ncc4c3)ncnc12.Fc1ccc(Nc2ncnc3ccsc23)c(OCCC(F)(F)F)c1.NC(=O)c1ccc(Nc2ncnc3ccsc23)c(C2CCCC2)c1.O=C(O)c1ccc(Nc2ncnc3ccsc23)cc1Cl
• InChI: InChI=1S/C18H18N4OS.C17H18N4O2S.C15H11F4N3OS.C15H14FN3OS.C14H11N5S.C13H8ClN3O2S/c19-17(23)12-5-6-14(13(9-12)11-3-1-2-4-11)22-18-16-15(7-8-24-16)20-10-21-18;1-3-10(2)23-14-8-11(16(18)22)4-5-12(14)21-17-15-13(6-7-24-15)19-9-20-17;16-9-1-2-10(12(7-9)23-5-4-15(17,18)19)22-14-13-11(3-6-24-13)20-8-21-14;1-9(2)20-13-7-10(16)3-4-11(13)19-15-14-12(5-6-21-14)17-8-18-15;1-8-6-20-13-12(8)15-7-16-14(13)18-10-2-3-11-9(4-10)5-17-19-11;14-9-5-7(1-2-8(9)13(18)19)17-12-11-10(3-4-20-11)15-6-16-12/h5-11H,1-4H2,(H2,19,23)(H,20,21,22);4-10H,3H2,1-2H3,(H2,18,22)(H,19,20,21);1-3,6-8H,4-5H2,(H,20,21,22);3-9H,1-2H3,(H,17,18,19);2-7H,1H3,(H,17,19)(H,15,16,18);1-6H,(H,18,19)(H,15,16,17)
• InChIKey: MEXCYWCNJMTDBJ-UHFFFAOYSA-N
• XLogP: 24.58
• TPSA: 406.71 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 31
• Rotatable Bonds: 24
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1928.64
LogP ≤ 5	24.58
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;2-chloro-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzoic acid;3-cyclopentyl-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;N-(4-fluoro-2-propan-2-yloxyphenyl)thieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine?

The IUPAC name of 3-butan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;2-chloro-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzoic acid;3-cyclopentyl-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;N-(4-fluoro-2-propan-2-yloxyphenyl)thieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine (CID 159546846) is 3-butan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;2-chloro-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzoic acid;3-cyclopentyl-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;N-(4-fluoro-2-propan-2-yloxyphenyl)thieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine.

What is the SMILES notation for 3-butan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;2-chloro-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzoic acid;3-cyclopentyl-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;N-(4-fluoro-2-propan-2-yloxyphenyl)thieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine?

The canonical SMILES for 3-butan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;2-chloro-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzoic acid;3-cyclopentyl-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;N-(4-fluoro-2-propan-2-yloxyphenyl)thieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine is CC(C)Oc1cc(F)ccc1Nc1ncnc2ccsc12.CCC(C)Oc1cc(C(N)=O)ccc1Nc1ncnc2ccsc12.Cc1csc2c(Nc3ccc4[nH]ncc4c3)ncnc12.Fc1ccc(Nc2ncnc3ccsc23)c(OCCC(F)(F)F)c1.NC(=O)c1ccc(Nc2ncnc3ccsc23)c(C2CCCC2)c1.O=C(O)c1ccc(Nc2ncnc3ccsc23)cc1Cl.

What is the InChIKey of 3-butan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;2-chloro-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzoic acid;3-cyclopentyl-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;N-(4-fluoro-2-propan-2-yloxyphenyl)thieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine?

The InChIKey is MEXCYWCNJMTDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS.C17H18N4O2S.C15H11F4N3OS.C15H14FN3OS.C14H11N5S.C13H8ClN3O2S/c19-17(23)12-5-6-14(13(9-12)11-3-1-2-4-11)22-18-16-15(7-8-24-16)20-10-21-18;1-3-10(2)23-14-8-11(16(18)22)4-5-12(14)21-17-15-13(6-7-24-15)19-9-20-17;16-9-1-2-10(12(7-9)23-5-4-15(17,18)19)22-14-13-11(3-6-24-13)20-8-21-14;1-9(2)20-13-7-10(16)3-4-11(13)19-15-14-12(5-6-21-14)17-8-18-15;1-8-6-20-13-12(8)15-7-16-14(13)18-10-2-3-11-9(4-10)5-17-19-11;14-9-5-7(1-2-8(9)13(18)19)17-12-11-10(3-4-20-11)15-6-16-12/h5-11H,1-4H2,(H2,19,23)(H,20,21,22);4-10H,3H2,1-2H3,(H2,18,22)(H,19,20,21);1-3,6-8H,4-5H2,(H,20,21,22);3-9H,1-2H3,(H,17,18,19);2-7H,1H3,(H,17,19)(H,15,16,18);1-6H,(H,18,19)(H,15,16,17).

What are the key properties of 3-butan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;2-chloro-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzoic acid;3-cyclopentyl-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;N-(4-fluoro-2-propan-2-yloxyphenyl)thieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine?

3-butan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;2-chloro-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzoic acid;3-cyclopentyl-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;N-(4-fluoro-2-propan-2-yloxyphenyl)thieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 1928.64 g/mol, XLogP of 24.58, 24 rotatable bonds, 10 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 3-butan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;2-chloro-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzoic acid;3-cyclopentyl-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;N-(4-fluoro-2-propan-2-yloxyphenyl)thieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 159546846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).