3-cyclopentyloxy-4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-4-amine;N-(4-fluoro-2-propan-2-yloxyphenyl)-6-methylthieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-4-amine;4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(oxolan-3-yloxy)benzamide;4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(3,3,3-trifluoropropoxy)benzamide

C103H98F9N21O11S6 — CID 157444196

About 3-cyclopentyloxy-4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-4-amine;N-(4-fluoro-2-propan-2-yloxyphenyl)-6-methylthieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-4-amine;4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(oxolan-3-yloxy)benzamide;4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(3,3,3-trifluoropropoxy)benzamide

3-cyclopentyloxy-4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-4-amine;N-(4-fluoro-2-propan-2-yloxyphenyl)-6-methylthieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-4-amine;4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(oxolan-3-yloxy)benzamide;4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(3,3,3-trifluoropropoxy)benzamide (PubChem CID 157444196) has the molecular formula C103H98F9N21O11S6 and a molecular weight of 2169.44 g/mol. Its IUPAC name is 3-cyclopentyloxy-4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-4-amine;N-(4-fluoro-2-propan-2-yloxyphenyl)-6-methylthieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-4-amine;4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(oxolan-3-yloxy)benzamide;4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(3,3,3-trifluoropropoxy)benzamide.

Molecular Properties

• Compound Name: 3-cyclopentyloxy-4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-4-amine;N-(4-fluoro-2-propan-2-yloxyphenyl)-6-methylthieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-4-amine;4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(oxolan-3-yloxy)benzamide;4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(3,3,3-trifluoropropoxy)benzamide
• PubChem CID: 157444196
• Molecular Formula: C103H98F9N21O11S6
• Molecular Weight: 2169.44 g/mol
• Exact Mass: 2167.59
• IUPAC Name: 3-cyclopentyloxy-4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-4-amine;N-(4-fluoro-2-propan-2-yloxyphenyl)-6-methylthieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-4-amine;4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(oxolan-3-yloxy)benzamide;4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(3,3,3-trifluoropropoxy)benzamide
• SMILES: Cc1cc2ncnc(Nc3ccc(C(N)=O)cc3OC3CCCC3)c2s1.Cc1cc2ncnc(Nc3ccc(C(N)=O)cc3OC3CCOC3)c2s1.Cc1cc2ncnc(Nc3ccc(C(N)=O)cc3OCCC(F)(F)F)c2s1.Cc1cc2ncnc(Nc3ccc(F)cc3OC(C)C)c2s1.Cc1cc2ncnc(Nc3ccc(F)cc3OC3CCOC3)c2s1.Cc1cc2ncnc(Nc3ccc(F)cc3OCCC(F)(F)F)c2s1
• InChI: InChI=1S/C19H20N4O2S.C18H18N4O3S.C17H15F3N4O2S.C17H16FN3O2S.C16H13F4N3OS.C16H16FN3OS/c1-11-8-15-17(26-11)19(22-10-21-15)23-14-7-6-12(18(20)24)9-16(14)25-13-4-2-3-5-13;1-10-6-14-16(26-10)18(21-9-20-14)22-13-3-2-11(17(19)23)7-15(13)25-12-4-5-24-8-12;1-9-6-12-14(27-9)16(23-8-22-12)24-11-3-2-10(15(21)25)7-13(11)26-5-4-17(18,19)20;1-10-6-14-16(24-10)17(20-9-19-14)21-13-3-2-11(18)7-15(13)23-12-4-5-22-8-12;1-9-6-12-14(25-9)15(22-8-21-12)23-11-3-2-10(17)7-13(11)24-5-4-16(18,19)20;1-9(2)21-14-7-11(17)4-5-12(14)20-16-15-13(18-8-19-16)6-10(3)22-15/h6-10,13H,2-5H2,1H3,(H2,20,24)(H,21,22,23);2-3,6-7,9,12H,4-5,8H2,1H3,(H2,19,23)(H,20,21,22);2-3,6-8H,4-5H2,1H3,(H2,21,25)(H,22,23,24);2-3,6-7,9,12H,4-5,8H2,1H3,(H,19,20,21);2-3,6-8H,4-5H2,1H3,(H,21,22,23);4-9H,1-3H3,(H,18,19,20)
• InChIKey: BSAIIBFGKKAIKQ-UHFFFAOYSA-N
• XLogP: 25.28
• TPSA: 429.97 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 35
• Rotatable Bonds: 29
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2169.44
LogP ≤ 5	25.28
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyloxy-4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-4-amine;N-(4-fluoro-2-propan-2-yloxyphenyl)-6-methylthieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-4-amine;4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(oxolan-3-yloxy)benzamide;4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(3,3,3-trifluoropropoxy)benzamide?

The IUPAC name of 3-cyclopentyloxy-4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-4-amine;N-(4-fluoro-2-propan-2-yloxyphenyl)-6-methylthieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-4-amine;4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(oxolan-3-yloxy)benzamide;4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(3,3,3-trifluoropropoxy)benzamide (CID 157444196) is 3-cyclopentyloxy-4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-4-amine;N-(4-fluoro-2-propan-2-yloxyphenyl)-6-methylthieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-4-amine;4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(oxolan-3-yloxy)benzamide;4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(3,3,3-trifluoropropoxy)benzamide.

What is the SMILES notation for 3-cyclopentyloxy-4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-4-amine;N-(4-fluoro-2-propan-2-yloxyphenyl)-6-methylthieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-4-amine;4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(oxolan-3-yloxy)benzamide;4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(3,3,3-trifluoropropoxy)benzamide?

The canonical SMILES for 3-cyclopentyloxy-4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-4-amine;N-(4-fluoro-2-propan-2-yloxyphenyl)-6-methylthieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-4-amine;4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(oxolan-3-yloxy)benzamide;4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(3,3,3-trifluoropropoxy)benzamide is Cc1cc2ncnc(Nc3ccc(C(N)=O)cc3OC3CCCC3)c2s1.Cc1cc2ncnc(Nc3ccc(C(N)=O)cc3OC3CCOC3)c2s1.Cc1cc2ncnc(Nc3ccc(C(N)=O)cc3OCCC(F)(F)F)c2s1.Cc1cc2ncnc(Nc3ccc(F)cc3OC(C)C)c2s1.Cc1cc2ncnc(Nc3ccc(F)cc3OC3CCOC3)c2s1.Cc1cc2ncnc(Nc3ccc(F)cc3OCCC(F)(F)F)c2s1.

What is the InChIKey of 3-cyclopentyloxy-4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-4-amine;N-(4-fluoro-2-propan-2-yloxyphenyl)-6-methylthieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-4-amine;4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(oxolan-3-yloxy)benzamide;4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(3,3,3-trifluoropropoxy)benzamide?

The InChIKey is BSAIIBFGKKAIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S.C18H18N4O3S.C17H15F3N4O2S.C17H16FN3O2S.C16H13F4N3OS.C16H16FN3OS/c1-11-8-15-17(26-11)19(22-10-21-15)23-14-7-6-12(18(20)24)9-16(14)25-13-4-2-3-5-13;1-10-6-14-16(26-10)18(21-9-20-14)22-13-3-2-11(17(19)23)7-15(13)25-12-4-5-24-8-12;1-9-6-12-14(27-9)16(23-8-22-12)24-11-3-2-10(15(21)25)7-13(11)26-5-4-17(18,19)20;1-10-6-14-16(24-10)17(20-9-19-14)21-13-3-2-11(18)7-15(13)23-12-4-5-22-8-12;1-9-6-12-14(25-9)15(22-8-21-12)23-11-3-2-10(17)7-13(11)24-5-4-16(18,19)20;1-9(2)21-14-7-11(17)4-5-12(14)20-16-15-13(18-8-19-16)6-10(3)22-15/h6-10,13H,2-5H2,1H3,(H2,20,24)(H,21,22,23);2-3,6-7,9,12H,4-5,8H2,1H3,(H2,19,23)(H,20,21,22);2-3,6-8H,4-5H2,1H3,(H2,21,25)(H,22,23,24);2-3,6-7,9,12H,4-5,8H2,1H3,(H,19,20,21);2-3,6-8H,4-5H2,1H3,(H,21,22,23);4-9H,1-3H3,(H,18,19,20).

What are the key properties of 3-cyclopentyloxy-4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-4-amine;N-(4-fluoro-2-propan-2-yloxyphenyl)-6-methylthieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-4-amine;4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(oxolan-3-yloxy)benzamide;4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(3,3,3-trifluoropropoxy)benzamide?

3-cyclopentyloxy-4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-4-amine;N-(4-fluoro-2-propan-2-yloxyphenyl)-6-methylthieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-4-amine;4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(oxolan-3-yloxy)benzamide;4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(3,3,3-trifluoropropoxy)benzamide has a molecular weight of 2169.44 g/mol, XLogP of 25.28, 29 rotatable bonds, 9 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopentyloxy-4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-4-amine;N-(4-fluoro-2-propan-2-yloxyphenyl)-6-methylthieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-4-amine;4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(oxolan-3-yloxy)benzamide;4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(3,3,3-trifluoropropoxy)benzamide is sourced from PubChem (CID 157444196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).