3-butan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;3-cyclopentyloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;N-[2-(3,3-difluorobutoxy)-4-fluorophenyl]thieno[3,2-d]pyrimidin-4-amine;3-(3,3-difluorobutoxy)-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;3-(3,3-difluorobutoxy)-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;3-propan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide

C102H100F7N23O11S6 — CID 159197547

About 3-butan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;3-cyclopentyloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;N-[2-(3,3-difluorobutoxy)-4-fluorophenyl]thieno[3,2-d]pyrimidin-4-amine;3-(3,3-difluorobutoxy)-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;3-(3,3-difluorobutoxy)-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;3-propan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide

3-butan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;3-cyclopentyloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;N-[2-(3,3-difluorobutoxy)-4-fluorophenyl]thieno[3,2-d]pyrimidin-4-amine;3-(3,3-difluorobutoxy)-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;3-(3,3-difluorobutoxy)-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;3-propan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide (PubChem CID 159197547) has the molecular formula C102H100F7N23O11S6 and a molecular weight of 2149.46 g/mol. Its IUPAC name is 3-butan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;3-cyclopentyloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;N-[2-(3,3-difluorobutoxy)-4-fluorophenyl]thieno[3,2-d]pyrimidin-4-amine;3-(3,3-difluorobutoxy)-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;3-(3,3-difluorobutoxy)-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;3-propan-2-yloxy-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;3-cyclopentyloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;N-[2-(3,3-difluorobutoxy)-4-fluorophenyl]thieno[3,2-d]pyrimidin-4-amine;3-(3,3-difluorobutoxy)-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;3-(3,3-difluorobutoxy)-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;3-propan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide
• PubChem CID: 159197547
• Molecular Formula: C102H100F7N23O11S6
• Molecular Weight: 2149.46 g/mol
• Exact Mass: 2147.62
• IUPAC Name: 3-butan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;3-cyclopentyloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;N-[2-(3,3-difluorobutoxy)-4-fluorophenyl]thieno[3,2-d]pyrimidin-4-amine;3-(3,3-difluorobutoxy)-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;3-(3,3-difluorobutoxy)-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;3-propan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide
• SMILES: CC(C)Oc1cc(C(N)=O)ccc1Nc1ncnc2ccsc12.CC(F)(F)CCOc1cc(C(N)=O)ccc1Nc1ncnc2ccsc12.CC(F)(F)CCOc1cc(F)ccc1Nc1ncnc2ccsc12.CCC(C)Oc1cc(C(N)=O)ccc1Nc1ncnc2ccsc12.Cc1csc2c(Nc3ccc(C(N)=O)cc3OCCC(C)(F)F)ncnc12.NC(=O)c1ccc(Nc2ncnc3ccsc23)c(OC2CCCC2)c1
• InChI: InChI=1S/C18H18F2N4O2S.C18H18N4O2S.C17H16F2N4O2S.C17H18N4O2S.C16H14F3N3OS.C16H16N4O2S/c1-10-8-27-15-14(10)22-9-23-17(15)24-12-4-3-11(16(21)25)7-13(12)26-6-5-18(2,19)20;19-17(23)11-5-6-13(15(9-11)24-12-3-1-2-4-12)22-18-16-14(7-8-25-16)20-10-21-18;1-17(18,19)5-6-25-13-8-10(15(20)24)2-3-11(13)23-16-14-12(4-7-26-14)21-9-22-16;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;1-16(18,19)5-6-23-13-8-10(17)2-3-11(13)22-15-14-12(4-7-24-14)20-9-21-15;1-9(2)22-13-7-10(15(17)21)3-4-11(13)20-16-14-12(5-6-23-14)18-8-19-16/h3-4,7-9H,5-6H2,1-2H3,(H2,21,25)(H,22,23,24);5-10,12H,1-4H2,(H2,19,23)(H,20,21,22);2-4,7-9H,5-6H2,1H3,(H2,20,24)(H,21,22,23);4-10H,3H2,1-2H3,(H2,18,22)(H,19,20,21);2-4,7-9H,5-6H2,1H3,(H,20,21,22);3-9H,1-2H3,(H2,17,21)(H,18,19,20)
• InChIKey: KOVZASYYTOLNGW-UHFFFAOYSA-N
• XLogP: 24.11
• TPSA: 497.69 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 35
• Rotatable Bonds: 36
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2149.46
LogP ≤ 5	24.11
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;3-cyclopentyloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;N-[2-(3,3-difluorobutoxy)-4-fluorophenyl]thieno[3,2-d]pyrimidin-4-amine;3-(3,3-difluorobutoxy)-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;3-(3,3-difluorobutoxy)-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;3-propan-2-yloxy-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;3-cyclopentyloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;N-[2-(3,3-difluorobutoxy)-4-fluorophenyl]thieno[3,2-d]pyrimidin-4-amine;3-(3,3-difluorobutoxy)-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;3-(3,3-difluorobutoxy)-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;3-propan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide (CID 159197547) is 3-butan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;3-cyclopentyloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;N-[2-(3,3-difluorobutoxy)-4-fluorophenyl]thieno[3,2-d]pyrimidin-4-amine;3-(3,3-difluorobutoxy)-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;3-(3,3-difluorobutoxy)-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;3-propan-2-yloxy-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;3-cyclopentyloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;N-[2-(3,3-difluorobutoxy)-4-fluorophenyl]thieno[3,2-d]pyrimidin-4-amine;3-(3,3-difluorobutoxy)-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;3-(3,3-difluorobutoxy)-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;3-propan-2-yloxy-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;3-cyclopentyloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;N-[2-(3,3-difluorobutoxy)-4-fluorophenyl]thieno[3,2-d]pyrimidin-4-amine;3-(3,3-difluorobutoxy)-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;3-(3,3-difluorobutoxy)-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;3-propan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide is CC(C)Oc1cc(C(N)=O)ccc1Nc1ncnc2ccsc12.CC(F)(F)CCOc1cc(C(N)=O)ccc1Nc1ncnc2ccsc12.CC(F)(F)CCOc1cc(F)ccc1Nc1ncnc2ccsc12.CCC(C)Oc1cc(C(N)=O)ccc1Nc1ncnc2ccsc12.Cc1csc2c(Nc3ccc(C(N)=O)cc3OCCC(C)(F)F)ncnc12.NC(=O)c1ccc(Nc2ncnc3ccsc23)c(OC2CCCC2)c1.

What is the InChIKey of 3-butan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;3-cyclopentyloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;N-[2-(3,3-difluorobutoxy)-4-fluorophenyl]thieno[3,2-d]pyrimidin-4-amine;3-(3,3-difluorobutoxy)-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;3-(3,3-difluorobutoxy)-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;3-propan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide?

The InChIKey is KOVZASYYTOLNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O2S.C18H18N4O2S.C17H16F2N4O2S.C17H18N4O2S.C16H14F3N3OS.C16H16N4O2S/c1-10-8-27-15-14(10)22-9-23-17(15)24-12-4-3-11(16(21)25)7-13(12)26-6-5-18(2,19)20;19-17(23)11-5-6-13(15(9-11)24-12-3-1-2-4-12)22-18-16-14(7-8-25-16)20-10-21-18;1-17(18,19)5-6-25-13-8-10(15(20)24)2-3-11(13)23-16-14-12(4-7-26-14)21-9-22-16;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;1-16(18,19)5-6-23-13-8-10(17)2-3-11(13)22-15-14-12(4-7-24-14)20-9-21-15;1-9(2)22-13-7-10(15(17)21)3-4-11(13)20-16-14-12(5-6-23-14)18-8-19-16/h3-4,7-9H,5-6H2,1-2H3,(H2,21,25)(H,22,23,24);5-10,12H,1-4H2,(H2,19,23)(H,20,21,22);2-4,7-9H,5-6H2,1H3,(H2,20,24)(H,21,22,23);4-10H,3H2,1-2H3,(H2,18,22)(H,19,20,21);2-4,7-9H,5-6H2,1H3,(H,20,21,22);3-9H,1-2H3,(H2,17,21)(H,18,19,20).

What are the key properties of 3-butan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;3-cyclopentyloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;N-[2-(3,3-difluorobutoxy)-4-fluorophenyl]thieno[3,2-d]pyrimidin-4-amine;3-(3,3-difluorobutoxy)-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;3-(3,3-difluorobutoxy)-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;3-propan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide?

3-butan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;3-cyclopentyloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;N-[2-(3,3-difluorobutoxy)-4-fluorophenyl]thieno[3,2-d]pyrimidin-4-amine;3-(3,3-difluorobutoxy)-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;3-(3,3-difluorobutoxy)-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;3-propan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide has a molecular weight of 2149.46 g/mol, XLogP of 24.11, 36 rotatable bonds, 11 hydrogen bond donors, and 35 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;3-cyclopentyloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;N-[2-(3,3-difluorobutoxy)-4-fluorophenyl]thieno[3,2-d]pyrimidin-4-amine;3-(3,3-difluorobutoxy)-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;3-(3,3-difluorobutoxy)-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;3-propan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide is sourced from PubChem (CID 159197547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).