3-cyclopentyloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;N-(2-ethoxyphenyl)-7-methylthieno[3,2-d]pyrimidin-4-amine;N-(2-ethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;N-(2-methoxyphenyl)-7-methylthieno[3,2-d]pyrimidin-4-amine;N-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;3-(oxolan-3-yloxy)-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;3-propan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;4-(thieno[3,2-d]pyrimidin-4-ylamino)-3-(3,3,3-trifluoropropoxy)benzamide

C123H115F3N28O13S8 — CID 158424970

About 3-cyclopentyloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;N-(2-ethoxyphenyl)-7-methylthieno[3,2-d]pyrimidin-4-amine;N-(2-ethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;N-(2-methoxyphenyl)-7-methylthieno[3,2-d]pyrimidin-4-amine;N-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;3-(oxolan-3-yloxy)-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;3-propan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;4-(thieno[3,2-d]pyrimidin-4-ylamino)-3-(3,3,3-trifluoropropoxy)benzamide

3-cyclopentyloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;N-(2-ethoxyphenyl)-7-methylthieno[3,2-d]pyrimidin-4-amine;N-(2-ethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;N-(2-methoxyphenyl)-7-methylthieno[3,2-d]pyrimidin-4-amine;N-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;3-(oxolan-3-yloxy)-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;3-propan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;4-(thieno[3,2-d]pyrimidin-4-ylamino)-3-(3,3,3-trifluoropropoxy)benzamide (PubChem CID 158424970) has the molecular formula C123H115F3N28O13S8 and a molecular weight of 2506.99 g/mol. Its IUPAC name is 3-cyclopentyloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;N-(2-ethoxyphenyl)-7-methylthieno[3,2-d]pyrimidin-4-amine;N-(2-ethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;N-(2-methoxyphenyl)-7-methylthieno[3,2-d]pyrimidin-4-amine;N-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;3-(oxolan-3-yloxy)-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;3-propan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;4-(thieno[3,2-d]pyrimidin-4-ylamino)-3-(3,3,3-trifluoropropoxy)benzamide.

Molecular Properties

• Compound Name: 3-cyclopentyloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;N-(2-ethoxyphenyl)-7-methylthieno[3,2-d]pyrimidin-4-amine;N-(2-ethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;N-(2-methoxyphenyl)-7-methylthieno[3,2-d]pyrimidin-4-amine;N-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;3-(oxolan-3-yloxy)-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;3-propan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;4-(thieno[3,2-d]pyrimidin-4-ylamino)-3-(3,3,3-trifluoropropoxy)benzamide
• PubChem CID: 158424970
• Molecular Formula: C123H115F3N28O13S8
• Molecular Weight: 2506.99 g/mol
• Exact Mass: 2504.69
• IUPAC Name: 3-cyclopentyloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;N-(2-ethoxyphenyl)-7-methylthieno[3,2-d]pyrimidin-4-amine;N-(2-ethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;N-(2-methoxyphenyl)-7-methylthieno[3,2-d]pyrimidin-4-amine;N-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;3-(oxolan-3-yloxy)-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;3-propan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;4-(thieno[3,2-d]pyrimidin-4-ylamino)-3-(3,3,3-trifluoropropoxy)benzamide
• SMILES: CC(C)Oc1cc(C(N)=O)ccc1Nc1ncnc2ccsc12.CCOc1ccccc1Nc1ncnc2c(C)csc12.CCOc1ccccc1Nc1ncnc2ccsc12.COc1ccccc1Nc1ncnc2c(C)csc12.COc1ccccc1Nc1ncnc2ccsc12.NC(=O)c1ccc(Nc2ncnc3ccsc23)c(OC2CCCC2)c1.NC(=O)c1ccc(Nc2ncnc3ccsc23)c(OC2CCOC2)c1.NC(=O)c1ccc(Nc2ncnc3ccsc23)c(OCCC(F)(F)F)c1
• InChI: InChI=1S/C18H18N4O2S.C17H16N4O3S.C16H13F3N4O2S.C16H16N4O2S.C15H15N3OS.2C14H13N3OS.C13H11N3OS/c19-17(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;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;17-16(18,19)4-5-25-12-7-9(14(20)24)1-2-10(12)23-15-13-11(3-6-26-13)21-8-22-15;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;1-3-19-12-7-5-4-6-11(12)18-15-14-13(16-9-17-15)10(2)8-20-14;1-9-7-19-13-12(9)15-8-16-14(13)17-10-5-3-4-6-11(10)18-2;1-2-18-12-6-4-3-5-10(12)17-14-13-11(7-8-19-13)15-9-16-14;1-17-11-5-3-2-4-9(11)16-13-12-10(6-7-18-12)14-8-15-13/h5-10,12H,1-4H2,(H2,19,23)(H,20,21,22);1-2,4,6-7,9,11H,3,5,8H2,(H2,18,22)(H,19,20,21);1-3,6-8H,4-5H2,(H2,20,24)(H,21,22,23);3-9H,1-2H3,(H2,17,21)(H,18,19,20);4-9H,3H2,1-2H3,(H,16,17,18);3-8H,1-2H3,(H,15,16,17);3-9H,2H2,1H3,(H,15,16,17);2-8H,1H3,(H,14,15,16)
• InChIKey: HAXZPEHQQJOODP-UHFFFAOYSA-N
• XLogP: 28.91
• TPSA: 557.91 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 45
• Rotatable Bonds: 35
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2506.99
LogP ≤ 5	28.91
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	45

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;N-(2-ethoxyphenyl)-7-methylthieno[3,2-d]pyrimidin-4-amine;N-(2-ethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;N-(2-methoxyphenyl)-7-methylthieno[3,2-d]pyrimidin-4-amine;N-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;3-(oxolan-3-yloxy)-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;3-propan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;4-(thieno[3,2-d]pyrimidin-4-ylamino)-3-(3,3,3-trifluoropropoxy)benzamide?

The IUPAC name of 3-cyclopentyloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;N-(2-ethoxyphenyl)-7-methylthieno[3,2-d]pyrimidin-4-amine;N-(2-ethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;N-(2-methoxyphenyl)-7-methylthieno[3,2-d]pyrimidin-4-amine;N-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;3-(oxolan-3-yloxy)-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;3-propan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;4-(thieno[3,2-d]pyrimidin-4-ylamino)-3-(3,3,3-trifluoropropoxy)benzamide (CID 158424970) is 3-cyclopentyloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;N-(2-ethoxyphenyl)-7-methylthieno[3,2-d]pyrimidin-4-amine;N-(2-ethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;N-(2-methoxyphenyl)-7-methylthieno[3,2-d]pyrimidin-4-amine;N-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;3-(oxolan-3-yloxy)-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;3-propan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;4-(thieno[3,2-d]pyrimidin-4-ylamino)-3-(3,3,3-trifluoropropoxy)benzamide.

What is the SMILES notation for 3-cyclopentyloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;N-(2-ethoxyphenyl)-7-methylthieno[3,2-d]pyrimidin-4-amine;N-(2-ethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;N-(2-methoxyphenyl)-7-methylthieno[3,2-d]pyrimidin-4-amine;N-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;3-(oxolan-3-yloxy)-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;3-propan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;4-(thieno[3,2-d]pyrimidin-4-ylamino)-3-(3,3,3-trifluoropropoxy)benzamide?

The canonical SMILES for 3-cyclopentyloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;N-(2-ethoxyphenyl)-7-methylthieno[3,2-d]pyrimidin-4-amine;N-(2-ethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;N-(2-methoxyphenyl)-7-methylthieno[3,2-d]pyrimidin-4-amine;N-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;3-(oxolan-3-yloxy)-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;3-propan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;4-(thieno[3,2-d]pyrimidin-4-ylamino)-3-(3,3,3-trifluoropropoxy)benzamide is CC(C)Oc1cc(C(N)=O)ccc1Nc1ncnc2ccsc12.CCOc1ccccc1Nc1ncnc2c(C)csc12.CCOc1ccccc1Nc1ncnc2ccsc12.COc1ccccc1Nc1ncnc2c(C)csc12.COc1ccccc1Nc1ncnc2ccsc12.NC(=O)c1ccc(Nc2ncnc3ccsc23)c(OC2CCCC2)c1.NC(=O)c1ccc(Nc2ncnc3ccsc23)c(OC2CCOC2)c1.NC(=O)c1ccc(Nc2ncnc3ccsc23)c(OCCC(F)(F)F)c1.

What is the InChIKey of 3-cyclopentyloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;N-(2-ethoxyphenyl)-7-methylthieno[3,2-d]pyrimidin-4-amine;N-(2-ethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;N-(2-methoxyphenyl)-7-methylthieno[3,2-d]pyrimidin-4-amine;N-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;3-(oxolan-3-yloxy)-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;3-propan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;4-(thieno[3,2-d]pyrimidin-4-ylamino)-3-(3,3,3-trifluoropropoxy)benzamide?

The InChIKey is HAXZPEHQQJOODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S.C17H16N4O3S.C16H13F3N4O2S.C16H16N4O2S.C15H15N3OS.2C14H13N3OS.C13H11N3OS/c19-17(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;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;17-16(18,19)4-5-25-12-7-9(14(20)24)1-2-10(12)23-15-13-11(3-6-26-13)21-8-22-15;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;1-3-19-12-7-5-4-6-11(12)18-15-14-13(16-9-17-15)10(2)8-20-14;1-9-7-19-13-12(9)15-8-16-14(13)17-10-5-3-4-6-11(10)18-2;1-2-18-12-6-4-3-5-10(12)17-14-13-11(7-8-19-13)15-9-16-14;1-17-11-5-3-2-4-9(11)16-13-12-10(6-7-18-12)14-8-15-13/h5-10,12H,1-4H2,(H2,19,23)(H,20,21,22);1-2,4,6-7,9,11H,3,5,8H2,(H2,18,22)(H,19,20,21);1-3,6-8H,4-5H2,(H2,20,24)(H,21,22,23);3-9H,1-2H3,(H2,17,21)(H,18,19,20);4-9H,3H2,1-2H3,(H,16,17,18);3-8H,1-2H3,(H,15,16,17);3-9H,2H2,1H3,(H,15,16,17);2-8H,1H3,(H,14,15,16).

What are the key properties of 3-cyclopentyloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;N-(2-ethoxyphenyl)-7-methylthieno[3,2-d]pyrimidin-4-amine;N-(2-ethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;N-(2-methoxyphenyl)-7-methylthieno[3,2-d]pyrimidin-4-amine;N-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;3-(oxolan-3-yloxy)-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;3-propan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;4-(thieno[3,2-d]pyrimidin-4-ylamino)-3-(3,3,3-trifluoropropoxy)benzamide?

3-cyclopentyloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;N-(2-ethoxyphenyl)-7-methylthieno[3,2-d]pyrimidin-4-amine;N-(2-ethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;N-(2-methoxyphenyl)-7-methylthieno[3,2-d]pyrimidin-4-amine;N-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;3-(oxolan-3-yloxy)-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;3-propan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;4-(thieno[3,2-d]pyrimidin-4-ylamino)-3-(3,3,3-trifluoropropoxy)benzamide has a molecular weight of 2506.99 g/mol, XLogP of 28.91, 35 rotatable bonds, 12 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopentyloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;N-(2-ethoxyphenyl)-7-methylthieno[3,2-d]pyrimidin-4-amine;N-(2-ethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;N-(2-methoxyphenyl)-7-methylthieno[3,2-d]pyrimidin-4-amine;N-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;3-(oxolan-3-yloxy)-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;3-propan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;4-(thieno[3,2-d]pyrimidin-4-ylamino)-3-(3,3,3-trifluoropropoxy)benzamide is sourced from PubChem (CID 158424970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).