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

C104H105F4N23O12S6 — CID 158288786

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

3-butan-2-yloxy-4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;3-cyclopentyloxy-4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;N-(4-fluoro-2-propan-2-yloxyphenyl)thieno[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-propan-2-yloxybenzamide;4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(3,3,3-trifluoropropoxy)benzamide (PubChem CID 158288786) has the molecular formula C104H105F4N23O12S6 and a molecular weight of 2137.53 g/mol. Its IUPAC name is 3-butan-2-yloxy-4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;3-cyclopentyloxy-4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;N-(4-fluoro-2-propan-2-yloxyphenyl)thieno[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-propan-2-yloxybenzamide;4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(3,3,3-trifluoropropoxy)benzamide.

Molecular Properties

• Compound Name: 3-butan-2-yloxy-4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;3-cyclopentyloxy-4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;N-(4-fluoro-2-propan-2-yloxyphenyl)thieno[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-propan-2-yloxybenzamide;4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(3,3,3-trifluoropropoxy)benzamide
• PubChem CID: 158288786
• Molecular Formula: C104H105F4N23O12S6
• Molecular Weight: 2137.53 g/mol
• Exact Mass: 2135.66
• IUPAC Name: 3-butan-2-yloxy-4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;3-cyclopentyloxy-4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;N-(4-fluoro-2-propan-2-yloxyphenyl)thieno[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-propan-2-yloxybenzamide;4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(3,3,3-trifluoropropoxy)benzamide
• SMILES: CC(C)Oc1cc(F)ccc1Nc1ncnc2ccsc12.CCC(C)Oc1cc(C(N)=O)ccc1Nc1ncnc2cc(C)sc12.Cc1cc2ncnc(Nc3ccc(C(N)=O)cc3OC(C)C)c2s1.Cc1cc2ncnc(Nc3ccc(C(N)=O)cc3OC3CCCC3)c2s1.Cc1cc2ncnc(Nc3ccc(C(N)=O)cc3OC3CCOC3)c2s1.Cc1cc2ncnc(Nc3ccc(C(N)=O)cc3OCCC(F)(F)F)c2s1
• InChI: InChI=1S/C19H20N4O2S.C18H18N4O3S.C18H20N4O2S.C17H15F3N4O2S.C17H18N4O2S.C15H14FN3OS/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;1-4-10(2)24-15-8-12(17(19)23)5-6-13(15)22-18-16-14(20-9-21-18)7-11(3)25-16;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;1-9(2)23-14-7-11(16(18)22)4-5-12(14)21-17-15-13(19-8-20-17)6-10(3)24-15;1-9(2)20-13-7-10(16)3-4-11(13)19-15-14-12(5-6-21-14)17-8-18-15/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);5-10H,4H2,1-3H3,(H2,19,23)(H,20,21,22);2-3,6-8H,4-5H2,1H3,(H2,21,25)(H,22,23,24);4-9H,1-3H3,(H2,18,22)(H,19,20,21);3-9H,1-2H3,(H,17,18,19)
• InChIKey: GLCJVBKMMBSFSI-UHFFFAOYSA-N
• XLogP: 23.36
• TPSA: 506.92 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 36
• Rotatable Bonds: 31
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2137.53
LogP ≤ 5	23.36
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

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

The IUPAC name of 3-butan-2-yloxy-4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;3-cyclopentyloxy-4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;N-(4-fluoro-2-propan-2-yloxyphenyl)thieno[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-propan-2-yloxybenzamide;4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(3,3,3-trifluoropropoxy)benzamide (CID 158288786) is 3-butan-2-yloxy-4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;3-cyclopentyloxy-4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;N-(4-fluoro-2-propan-2-yloxyphenyl)thieno[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-propan-2-yloxybenzamide;4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(3,3,3-trifluoropropoxy)benzamide.

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

The canonical SMILES for 3-butan-2-yloxy-4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;3-cyclopentyloxy-4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;N-(4-fluoro-2-propan-2-yloxyphenyl)thieno[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-propan-2-yloxybenzamide;4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(3,3,3-trifluoropropoxy)benzamide is CC(C)Oc1cc(F)ccc1Nc1ncnc2ccsc12.CCC(C)Oc1cc(C(N)=O)ccc1Nc1ncnc2cc(C)sc12.Cc1cc2ncnc(Nc3ccc(C(N)=O)cc3OC(C)C)c2s1.Cc1cc2ncnc(Nc3ccc(C(N)=O)cc3OC3CCCC3)c2s1.Cc1cc2ncnc(Nc3ccc(C(N)=O)cc3OC3CCOC3)c2s1.Cc1cc2ncnc(Nc3ccc(C(N)=O)cc3OCCC(F)(F)F)c2s1.

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

The InChIKey is GLCJVBKMMBSFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S.C18H18N4O3S.C18H20N4O2S.C17H15F3N4O2S.C17H18N4O2S.C15H14FN3OS/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;1-4-10(2)24-15-8-12(17(19)23)5-6-13(15)22-18-16-14(20-9-21-18)7-11(3)25-16;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;1-9(2)23-14-7-11(16(18)22)4-5-12(14)21-17-15-13(19-8-20-17)6-10(3)24-15;1-9(2)20-13-7-10(16)3-4-11(13)19-15-14-12(5-6-21-14)17-8-18-15/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);5-10H,4H2,1-3H3,(H2,19,23)(H,20,21,22);2-3,6-8H,4-5H2,1H3,(H2,21,25)(H,22,23,24);4-9H,1-3H3,(H2,18,22)(H,19,20,21);3-9H,1-2H3,(H,17,18,19).

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

3-butan-2-yloxy-4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;3-cyclopentyloxy-4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;N-(4-fluoro-2-propan-2-yloxyphenyl)thieno[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-propan-2-yloxybenzamide;4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(3,3,3-trifluoropropoxy)benzamide has a molecular weight of 2137.53 g/mol, XLogP of 23.36, 31 rotatable bonds, 11 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 3-butan-2-yloxy-4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;3-cyclopentyloxy-4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;N-(4-fluoro-2-propan-2-yloxyphenyl)thieno[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-propan-2-yloxybenzamide;4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(3,3,3-trifluoropropoxy)benzamide is sourced from PubChem (CID 158288786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).