2-chloro-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzoic acid;3-cyclopentyloxy-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;N-(1H-indazol-5-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine;4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(oxolan-3-yloxy)benzamide;3-(oxolan-3-yloxy)-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide

C96H87ClN24O11S6 — CID 161408272

About 2-chloro-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzoic acid;3-cyclopentyloxy-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;N-(1H-indazol-5-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine;4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(oxolan-3-yloxy)benzamide;3-(oxolan-3-yloxy)-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide

2-chloro-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzoic acid;3-cyclopentyloxy-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;N-(1H-indazol-5-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine;4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(oxolan-3-yloxy)benzamide;3-(oxolan-3-yloxy)-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide (PubChem CID 161408272) has the molecular formula C96H87ClN24O11S6 and a molecular weight of 1980.76 g/mol. Its IUPAC name is 2-chloro-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzoic acid;3-cyclopentyloxy-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;N-(1H-indazol-5-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine;4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(oxolan-3-yloxy)benzamide;3-(oxolan-3-yloxy)-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide.

Molecular Properties

• Compound Name: 2-chloro-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzoic acid;3-cyclopentyloxy-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;N-(1H-indazol-5-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine;4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(oxolan-3-yloxy)benzamide;3-(oxolan-3-yloxy)-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide
• PubChem CID: 161408272
• Molecular Formula: C96H87ClN24O11S6
• Molecular Weight: 1980.76 g/mol
• Exact Mass: 1978.50
• IUPAC Name: 2-chloro-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzoic acid;3-cyclopentyloxy-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;N-(1H-indazol-5-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine;4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(oxolan-3-yloxy)benzamide;3-(oxolan-3-yloxy)-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide
• SMILES: Cc1csc2c(Nc3ccc(C(=O)O)c(Cl)c3)ncnc12.Cc1csc2c(Nc3ccc(C(N)=O)cc3)ncnc12.Cc1csc2c(Nc3ccc(C(N)=O)cc3OC3CCCC3)ncnc12.Cc1csc2c(Nc3ccc(C(N)=O)cc3OC3CCOC3)ncnc12.Cc1csc2c(Nc3ccc4[nH]ncc4c3)ncnc12.NC(=O)c1ccc(Nc2ncnc3ccsc23)c(OC2CCOC2)c1
• InChI: InChI=1S/C19H20N4O2S.C18H18N4O3S.C17H16N4O3S.C14H10ClN3O2S.C14H11N5S.C14H12N4OS/c1-11-9-26-17-16(11)21-10-22-19(17)23-14-7-6-12(18(20)24)8-15(14)25-13-4-2-3-5-13;1-10-8-26-16-15(10)20-9-21-18(16)22-13-3-2-11(17(19)23)6-14(13)25-12-4-5-24-7-12;18-16(22)10-1-2-12(14(7-10)24-11-3-5-23-8-11)21-17-15-13(4-6-25-15)19-9-20-17;1-7-5-21-12-11(7)16-6-17-13(12)18-8-2-3-9(14(19)20)10(15)4-8;1-8-6-20-13-12(8)15-7-16-14(13)18-10-2-3-11-9(4-10)5-17-19-11;1-8-6-20-12-11(8)16-7-17-14(12)18-10-4-2-9(3-5-10)13(15)19/h6-10,13H,2-5H2,1H3,(H2,20,24)(H,21,22,23);2-3,6,8-9,12H,4-5,7H2,1H3,(H2,19,23)(H,20,21,22);1-2,4,6-7,9,11H,3,5,8H2,(H2,18,22)(H,19,20,21);2-6H,1H3,(H,19,20)(H,16,17,18);2-7H,1H3,(H,17,19)(H,15,16,18);2-7H,1H3,(H2,15,19)(H,16,17,18)
• InChIKey: VVDDQHRDABVKBO-UHFFFAOYSA-N
• XLogP: 20.43
• TPSA: 511.35 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 35
• Rotatable Bonds: 23
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1980.76
LogP ≤ 5	20.43
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzoic acid;3-cyclopentyloxy-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;N-(1H-indazol-5-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine;4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(oxolan-3-yloxy)benzamide;3-(oxolan-3-yloxy)-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide?

The IUPAC name of 2-chloro-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzoic acid;3-cyclopentyloxy-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;N-(1H-indazol-5-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine;4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(oxolan-3-yloxy)benzamide;3-(oxolan-3-yloxy)-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide (CID 161408272) is 2-chloro-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzoic acid;3-cyclopentyloxy-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;N-(1H-indazol-5-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine;4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(oxolan-3-yloxy)benzamide;3-(oxolan-3-yloxy)-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide.

What is the SMILES notation for 2-chloro-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzoic acid;3-cyclopentyloxy-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;N-(1H-indazol-5-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine;4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(oxolan-3-yloxy)benzamide;3-(oxolan-3-yloxy)-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide?

The canonical SMILES for 2-chloro-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzoic acid;3-cyclopentyloxy-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;N-(1H-indazol-5-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine;4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(oxolan-3-yloxy)benzamide;3-(oxolan-3-yloxy)-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide is Cc1csc2c(Nc3ccc(C(=O)O)c(Cl)c3)ncnc12.Cc1csc2c(Nc3ccc(C(N)=O)cc3)ncnc12.Cc1csc2c(Nc3ccc(C(N)=O)cc3OC3CCCC3)ncnc12.Cc1csc2c(Nc3ccc(C(N)=O)cc3OC3CCOC3)ncnc12.Cc1csc2c(Nc3ccc4[nH]ncc4c3)ncnc12.NC(=O)c1ccc(Nc2ncnc3ccsc23)c(OC2CCOC2)c1.

What is the InChIKey of 2-chloro-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzoic acid;3-cyclopentyloxy-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;N-(1H-indazol-5-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine;4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(oxolan-3-yloxy)benzamide;3-(oxolan-3-yloxy)-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide?

The InChIKey is VVDDQHRDABVKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S.C18H18N4O3S.C17H16N4O3S.C14H10ClN3O2S.C14H11N5S.C14H12N4OS/c1-11-9-26-17-16(11)21-10-22-19(17)23-14-7-6-12(18(20)24)8-15(14)25-13-4-2-3-5-13;1-10-8-26-16-15(10)20-9-21-18(16)22-13-3-2-11(17(19)23)6-14(13)25-12-4-5-24-7-12;18-16(22)10-1-2-12(14(7-10)24-11-3-5-23-8-11)21-17-15-13(4-6-25-15)19-9-20-17;1-7-5-21-12-11(7)16-6-17-13(12)18-8-2-3-9(14(19)20)10(15)4-8;1-8-6-20-13-12(8)15-7-16-14(13)18-10-2-3-11-9(4-10)5-17-19-11;1-8-6-20-12-11(8)16-7-17-14(12)18-10-4-2-9(3-5-10)13(15)19/h6-10,13H,2-5H2,1H3,(H2,20,24)(H,21,22,23);2-3,6,8-9,12H,4-5,7H2,1H3,(H2,19,23)(H,20,21,22);1-2,4,6-7,9,11H,3,5,8H2,(H2,18,22)(H,19,20,21);2-6H,1H3,(H,19,20)(H,16,17,18);2-7H,1H3,(H,17,19)(H,15,16,18);2-7H,1H3,(H2,15,19)(H,16,17,18).

What are the key properties of 2-chloro-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzoic acid;3-cyclopentyloxy-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;N-(1H-indazol-5-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine;4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(oxolan-3-yloxy)benzamide;3-(oxolan-3-yloxy)-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide?

2-chloro-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzoic acid;3-cyclopentyloxy-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;N-(1H-indazol-5-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine;4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(oxolan-3-yloxy)benzamide;3-(oxolan-3-yloxy)-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide has a molecular weight of 1980.76 g/mol, XLogP of 20.43, 23 rotatable bonds, 12 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzoic acid;3-cyclopentyloxy-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;N-(1H-indazol-5-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine;4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(oxolan-3-yloxy)benzamide;3-(oxolan-3-yloxy)-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide is sourced from PubChem (CID 161408272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).