2-chloro-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzoic acid;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]-7-methylthieno[3,2-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidin-4-amine;3-methoxy-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;3-pyrrolidin-1-yl-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;2-[[4-(thieno[3,2-d]pyrimidin-4-ylamino)benzoyl]amino]acetic acid

C89H73ClF4N24O9S6 — CID 161495907

About 2-chloro-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzoic acid;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]-7-methylthieno[3,2-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidin-4-amine;3-methoxy-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;3-pyrrolidin-1-yl-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;2-[[4-(thieno[3,2-d]pyrimidin-4-ylamino)benzoyl]amino]acetic acid

2-chloro-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzoic acid;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]-7-methylthieno[3,2-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidin-4-amine;3-methoxy-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;3-pyrrolidin-1-yl-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;2-[[4-(thieno[3,2-d]pyrimidin-4-ylamino)benzoyl]amino]acetic acid (PubChem CID 161495907) has the molecular formula C89H73ClF4N24O9S6 and a molecular weight of 1926.57 g/mol. Its IUPAC name is 2-chloro-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzoic acid;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]-7-methylthieno[3,2-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidin-4-amine;3-methoxy-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;3-pyrrolidin-1-yl-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;2-[[4-(thieno[3,2-d]pyrimidin-4-ylamino)benzoyl]amino]acetic acid.

Molecular Properties

• Compound Name: 2-chloro-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzoic acid;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]-7-methylthieno[3,2-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidin-4-amine;3-methoxy-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;3-pyrrolidin-1-yl-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;2-[[4-(thieno[3,2-d]pyrimidin-4-ylamino)benzoyl]amino]acetic acid
• PubChem CID: 161495907
• Molecular Formula: C89H73ClF4N24O9S6
• Molecular Weight: 1926.57 g/mol
• Exact Mass: 1924.39
• IUPAC Name: 2-chloro-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzoic acid;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]-7-methylthieno[3,2-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidin-4-amine;3-methoxy-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;3-pyrrolidin-1-yl-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;2-[[4-(thieno[3,2-d]pyrimidin-4-ylamino)benzoyl]amino]acetic acid
• SMILES: COc1cc(C(N)=O)ccc1Nc1ncnc2c(C)csc12.Cc1csc2c(Nc3ccc(F)cc3OCCC(F)(F)F)ncnc12.NC(=O)c1ccc(Nc2ncnc3ccsc23)c(N2CCCC2)c1.O=C(O)CNC(=O)c1ccc(Nc2ncnc3ccsc23)cc1.O=C(O)c1ccc(Nc2ncnc3ccsc23)cc1Cl.c1nc(Nc2ccc3[nH]ncc3c2)c2sccc2n1
• InChI: InChI=1S/C17H17N5OS.C16H13F4N3OS.C15H12N4O3S.C15H14N4O2S.C13H8ClN3O2S.C13H9N5S/c18-16(23)11-3-4-12(14(9-11)22-6-1-2-7-22)21-17-15-13(5-8-24-15)19-10-20-17;1-9-7-25-14-13(9)21-8-22-15(14)23-11-3-2-10(17)6-12(11)24-5-4-16(18,19)20;20-12(21)7-16-15(22)9-1-3-10(4-2-9)19-14-13-11(5-6-23-13)17-8-18-14;1-8-6-22-13-12(8)17-7-18-15(13)19-10-4-3-9(14(16)20)5-11(10)21-2;14-9-5-7(1-2-8(9)13(18)19)17-12-11-10(3-4-20-11)15-6-16-12;1-2-10-8(6-16-18-10)5-9(1)17-13-12-11(3-4-19-12)14-7-15-13/h3-5,8-10H,1-2,6-7H2,(H2,18,23)(H,19,20,21);2-3,6-8H,4-5H2,1H3,(H,21,22,23);1-6,8H,7H2,(H,16,22)(H,20,21)(H,17,18,19);3-7H,1-2H3,(H2,16,20)(H,17,18,19);1-6H,(H,18,19)(H,15,16,17);1-7H,(H,16,18)(H,14,15,17)
• InChIKey: WGEUBEPVWPZOKV-UHFFFAOYSA-N
• XLogP: 20.55
• TPSA: 467.12 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 33
• Rotatable Bonds: 23
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1926.57
LogP ≤ 5	20.55
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzoic acid;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]-7-methylthieno[3,2-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidin-4-amine;3-methoxy-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;3-pyrrolidin-1-yl-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;2-[[4-(thieno[3,2-d]pyrimidin-4-ylamino)benzoyl]amino]acetic acid?

The IUPAC name of 2-chloro-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzoic acid;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]-7-methylthieno[3,2-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidin-4-amine;3-methoxy-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;3-pyrrolidin-1-yl-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;2-[[4-(thieno[3,2-d]pyrimidin-4-ylamino)benzoyl]amino]acetic acid (CID 161495907) is 2-chloro-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzoic acid;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]-7-methylthieno[3,2-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidin-4-amine;3-methoxy-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;3-pyrrolidin-1-yl-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;2-[[4-(thieno[3,2-d]pyrimidin-4-ylamino)benzoyl]amino]acetic acid.

What is the SMILES notation for 2-chloro-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzoic acid;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]-7-methylthieno[3,2-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidin-4-amine;3-methoxy-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;3-pyrrolidin-1-yl-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;2-[[4-(thieno[3,2-d]pyrimidin-4-ylamino)benzoyl]amino]acetic acid?

The canonical SMILES for 2-chloro-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzoic acid;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]-7-methylthieno[3,2-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidin-4-amine;3-methoxy-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;3-pyrrolidin-1-yl-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;2-[[4-(thieno[3,2-d]pyrimidin-4-ylamino)benzoyl]amino]acetic acid is COc1cc(C(N)=O)ccc1Nc1ncnc2c(C)csc12.Cc1csc2c(Nc3ccc(F)cc3OCCC(F)(F)F)ncnc12.NC(=O)c1ccc(Nc2ncnc3ccsc23)c(N2CCCC2)c1.O=C(O)CNC(=O)c1ccc(Nc2ncnc3ccsc23)cc1.O=C(O)c1ccc(Nc2ncnc3ccsc23)cc1Cl.c1nc(Nc2ccc3[nH]ncc3c2)c2sccc2n1.

What is the InChIKey of 2-chloro-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzoic acid;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]-7-methylthieno[3,2-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidin-4-amine;3-methoxy-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;3-pyrrolidin-1-yl-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;2-[[4-(thieno[3,2-d]pyrimidin-4-ylamino)benzoyl]amino]acetic acid?

The InChIKey is WGEUBEPVWPZOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS.C16H13F4N3OS.C15H12N4O3S.C15H14N4O2S.C13H8ClN3O2S.C13H9N5S/c18-16(23)11-3-4-12(14(9-11)22-6-1-2-7-22)21-17-15-13(5-8-24-15)19-10-20-17;1-9-7-25-14-13(9)21-8-22-15(14)23-11-3-2-10(17)6-12(11)24-5-4-16(18,19)20;20-12(21)7-16-15(22)9-1-3-10(4-2-9)19-14-13-11(5-6-23-13)17-8-18-14;1-8-6-22-13-12(8)17-7-18-15(13)19-10-4-3-9(14(16)20)5-11(10)21-2;14-9-5-7(1-2-8(9)13(18)19)17-12-11-10(3-4-20-11)15-6-16-12;1-2-10-8(6-16-18-10)5-9(1)17-13-12-11(3-4-19-12)14-7-15-13/h3-5,8-10H,1-2,6-7H2,(H2,18,23)(H,19,20,21);2-3,6-8H,4-5H2,1H3,(H,21,22,23);1-6,8H,7H2,(H,16,22)(H,20,21)(H,17,18,19);3-7H,1-2H3,(H2,16,20)(H,17,18,19);1-6H,(H,18,19)(H,15,16,17);1-7H,(H,16,18)(H,14,15,17).

What are the key properties of 2-chloro-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzoic acid;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]-7-methylthieno[3,2-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidin-4-amine;3-methoxy-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;3-pyrrolidin-1-yl-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;2-[[4-(thieno[3,2-d]pyrimidin-4-ylamino)benzoyl]amino]acetic acid?

2-chloro-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzoic acid;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]-7-methylthieno[3,2-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidin-4-amine;3-methoxy-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;3-pyrrolidin-1-yl-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;2-[[4-(thieno[3,2-d]pyrimidin-4-ylamino)benzoyl]amino]acetic acid has a molecular weight of 1926.57 g/mol, XLogP of 20.55, 23 rotatable bonds, 12 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzoic acid;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]-7-methylthieno[3,2-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidin-4-amine;3-methoxy-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;3-pyrrolidin-1-yl-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;2-[[4-(thieno[3,2-d]pyrimidin-4-ylamino)benzoyl]amino]acetic acid is sourced from PubChem (CID 161495907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).