3-butan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;N-(2-ethoxy-4-fluorophenyl)thieno[3,2-d]pyrimidin-4-amine;N-(4-fluoro-2-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]thieno[3,2-d]pyrimidin-4-amine;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;4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(3,3,3-trifluoropropoxy)benzamide;4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide

C120H104F11N27O11S8 — CID 162174225

About 3-butan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;N-(2-ethoxy-4-fluorophenyl)thieno[3,2-d]pyrimidin-4-amine;N-(4-fluoro-2-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]thieno[3,2-d]pyrimidin-4-amine;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;4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(3,3,3-trifluoropropoxy)benzamide;4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide

3-butan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;N-(2-ethoxy-4-fluorophenyl)thieno[3,2-d]pyrimidin-4-amine;N-(4-fluoro-2-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]thieno[3,2-d]pyrimidin-4-amine;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;4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(3,3,3-trifluoropropoxy)benzamide;4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide (PubChem CID 162174225) has the molecular formula C120H104F11N27O11S8 and a molecular weight of 2565.84 g/mol. Its IUPAC name is 3-butan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;N-(2-ethoxy-4-fluorophenyl)thieno[3,2-d]pyrimidin-4-amine;N-(4-fluoro-2-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]thieno[3,2-d]pyrimidin-4-amine;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;4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(3,3,3-trifluoropropoxy)benzamide;4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide.

Molecular Properties

• Compound Name: 3-butan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;N-(2-ethoxy-4-fluorophenyl)thieno[3,2-d]pyrimidin-4-amine;N-(4-fluoro-2-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]thieno[3,2-d]pyrimidin-4-amine;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;4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(3,3,3-trifluoropropoxy)benzamide;4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide
• PubChem CID: 162174225
• Molecular Formula: C120H104F11N27O11S8
• Molecular Weight: 2565.84 g/mol
• Exact Mass: 2563.60
• IUPAC Name: 3-butan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;N-(2-ethoxy-4-fluorophenyl)thieno[3,2-d]pyrimidin-4-amine;N-(4-fluoro-2-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]thieno[3,2-d]pyrimidin-4-amine;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;4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(3,3,3-trifluoropropoxy)benzamide;4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide
• SMILES: CC(C)Oc1cc(F)ccc1Nc1ncnc2ccsc12.CCC(C)Oc1cc(C(N)=O)ccc1Nc1ncnc2ccsc12.CCOc1cc(F)ccc1Nc1ncnc2ccsc12.COc1cc(F)ccc1Nc1ncnc2ccsc12.Cc1csc2c(Nc3ccc(C(N)=O)cc3OCCC(F)(F)F)ncnc12.Fc1ccc(Nc2ncnc3ccsc23)c(OC2CCOC2)c1.Fc1ccc(Nc2ncnc3ccsc23)c(OCCC(F)(F)F)c1.NC(=O)c1ccc(Nc2ncnc3ccsc23)cc1
• InChI: InChI=1S/C17H15F3N4O2S.C17H18N4O2S.C16H14FN3O2S.C15H11F4N3OS.C15H14FN3OS.C14H12FN3OS.C13H10FN3OS.C13H10N4OS/c1-9-7-27-14-13(9)22-8-23-16(14)24-11-3-2-10(15(21)25)6-12(11)26-5-4-17(18,19)20;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;17-10-1-2-12(14(7-10)22-11-3-5-21-8-11)20-16-15-13(4-6-23-15)18-9-19-16;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;1-2-19-12-7-9(15)3-4-10(12)18-14-13-11(5-6-20-13)16-8-17-14;1-18-11-6-8(14)2-3-9(11)17-13-12-10(4-5-19-12)15-7-16-13;14-12(18)8-1-3-9(4-2-8)17-13-11-10(5-6-19-11)15-7-16-13/h2-3,6-8H,4-5H2,1H3,(H2,21,25)(H,22,23,24);4-10H,3H2,1-2H3,(H2,18,22)(H,19,20,21);1-2,4,6-7,9,11H,3,5,8H2,(H,18,19,20);1-3,6-8H,4-5H2,(H,20,21,22);3-9H,1-2H3,(H,17,18,19);3-8H,2H2,1H3,(H,16,17,18);2-7H,1H3,(H,15,16,17);1-7H,(H2,14,18)(H,15,16,17)
• InChIKey: ZOEGNKYZIRQBLO-UHFFFAOYSA-N
• XLogP: 30.98
• TPSA: 505.59 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 43
• Rotatable Bonds: 35
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2565.84
LogP ≤ 5	30.98
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;N-(2-ethoxy-4-fluorophenyl)thieno[3,2-d]pyrimidin-4-amine;N-(4-fluoro-2-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]thieno[3,2-d]pyrimidin-4-amine;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;4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(3,3,3-trifluoropropoxy)benzamide;4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide?

The IUPAC name of 3-butan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;N-(2-ethoxy-4-fluorophenyl)thieno[3,2-d]pyrimidin-4-amine;N-(4-fluoro-2-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]thieno[3,2-d]pyrimidin-4-amine;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;4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(3,3,3-trifluoropropoxy)benzamide;4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide (CID 162174225) is 3-butan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;N-(2-ethoxy-4-fluorophenyl)thieno[3,2-d]pyrimidin-4-amine;N-(4-fluoro-2-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]thieno[3,2-d]pyrimidin-4-amine;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;4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(3,3,3-trifluoropropoxy)benzamide;4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide.

What is the SMILES notation for 3-butan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;N-(2-ethoxy-4-fluorophenyl)thieno[3,2-d]pyrimidin-4-amine;N-(4-fluoro-2-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]thieno[3,2-d]pyrimidin-4-amine;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;4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(3,3,3-trifluoropropoxy)benzamide;4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide?

The canonical SMILES for 3-butan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;N-(2-ethoxy-4-fluorophenyl)thieno[3,2-d]pyrimidin-4-amine;N-(4-fluoro-2-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]thieno[3,2-d]pyrimidin-4-amine;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;4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(3,3,3-trifluoropropoxy)benzamide;4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide is CC(C)Oc1cc(F)ccc1Nc1ncnc2ccsc12.CCC(C)Oc1cc(C(N)=O)ccc1Nc1ncnc2ccsc12.CCOc1cc(F)ccc1Nc1ncnc2ccsc12.COc1cc(F)ccc1Nc1ncnc2ccsc12.Cc1csc2c(Nc3ccc(C(N)=O)cc3OCCC(F)(F)F)ncnc12.Fc1ccc(Nc2ncnc3ccsc23)c(OC2CCOC2)c1.Fc1ccc(Nc2ncnc3ccsc23)c(OCCC(F)(F)F)c1.NC(=O)c1ccc(Nc2ncnc3ccsc23)cc1.

What is the InChIKey of 3-butan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;N-(2-ethoxy-4-fluorophenyl)thieno[3,2-d]pyrimidin-4-amine;N-(4-fluoro-2-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]thieno[3,2-d]pyrimidin-4-amine;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;4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(3,3,3-trifluoropropoxy)benzamide;4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide?

The InChIKey is ZOEGNKYZIRQBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O2S.C17H18N4O2S.C16H14FN3O2S.C15H11F4N3OS.C15H14FN3OS.C14H12FN3OS.C13H10FN3OS.C13H10N4OS/c1-9-7-27-14-13(9)22-8-23-16(14)24-11-3-2-10(15(21)25)6-12(11)26-5-4-17(18,19)20;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;17-10-1-2-12(14(7-10)22-11-3-5-21-8-11)20-16-15-13(4-6-23-15)18-9-19-16;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;1-2-19-12-7-9(15)3-4-10(12)18-14-13-11(5-6-20-13)16-8-17-14;1-18-11-6-8(14)2-3-9(11)17-13-12-10(4-5-19-12)15-7-16-13;14-12(18)8-1-3-9(4-2-8)17-13-11-10(5-6-19-11)15-7-16-13/h2-3,6-8H,4-5H2,1H3,(H2,21,25)(H,22,23,24);4-10H,3H2,1-2H3,(H2,18,22)(H,19,20,21);1-2,4,6-7,9,11H,3,5,8H2,(H,18,19,20);1-3,6-8H,4-5H2,(H,20,21,22);3-9H,1-2H3,(H,17,18,19);3-8H,2H2,1H3,(H,16,17,18);2-7H,1H3,(H,15,16,17);1-7H,(H2,14,18)(H,15,16,17).

What are the key properties of 3-butan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;N-(2-ethoxy-4-fluorophenyl)thieno[3,2-d]pyrimidin-4-amine;N-(4-fluoro-2-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]thieno[3,2-d]pyrimidin-4-amine;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;4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(3,3,3-trifluoropropoxy)benzamide;4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide?

3-butan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;N-(2-ethoxy-4-fluorophenyl)thieno[3,2-d]pyrimidin-4-amine;N-(4-fluoro-2-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]thieno[3,2-d]pyrimidin-4-amine;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;4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(3,3,3-trifluoropropoxy)benzamide;4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide has a molecular weight of 2565.84 g/mol, XLogP of 30.98, 35 rotatable bonds, 11 hydrogen bond donors, and 43 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;N-(2-ethoxy-4-fluorophenyl)thieno[3,2-d]pyrimidin-4-amine;N-(4-fluoro-2-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]thieno[3,2-d]pyrimidin-4-amine;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;4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(3,3,3-trifluoropropoxy)benzamide;4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide is sourced from PubChem (CID 162174225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).