2-chloro-N-(1-pyridin-3-ylpropyl)thieno[3,2-d]pyrimidine-4-carboxamide;ethyl 2-chlorothieno[3,2-d]pyrimidine-4-carboxylate;ethyl 2-(1-pyridin-3-ylpropylamino)thieno[3,2-d]pyrimidine-4-carboxylate;1-pyridin-3-ylpropan-1-amine;N-(1-pyridin-3-ylpropyl)-2-(1-pyridin-3-ylpropylamino)thieno[3,2-d]pyrimidine-4-carboxamide

C72H74Cl2N18O6S4 — CID 163496868

About 2-chloro-N-(1-pyridin-3-ylpropyl)thieno[3,2-d]pyrimidine-4-carboxamide;ethyl 2-chlorothieno[3,2-d]pyrimidine-4-carboxylate;ethyl 2-(1-pyridin-3-ylpropylamino)thieno[3,2-d]pyrimidine-4-carboxylate;1-pyridin-3-ylpropan-1-amine;N-(1-pyridin-3-ylpropyl)-2-(1-pyridin-3-ylpropylamino)thieno[3,2-d]pyrimidine-4-carboxamide

2-chloro-N-(1-pyridin-3-ylpropyl)thieno[3,2-d]pyrimidine-4-carboxamide;ethyl 2-chlorothieno[3,2-d]pyrimidine-4-carboxylate;ethyl 2-(1-pyridin-3-ylpropylamino)thieno[3,2-d]pyrimidine-4-carboxylate;1-pyridin-3-ylpropan-1-amine;N-(1-pyridin-3-ylpropyl)-2-(1-pyridin-3-ylpropylamino)thieno[3,2-d]pyrimidine-4-carboxamide (PubChem CID 163496868) has the molecular formula C72H74Cl2N18O6S4 and a molecular weight of 1486.68 g/mol. Its IUPAC name is 2-chloro-N-(1-pyridin-3-ylpropyl)thieno[3,2-d]pyrimidine-4-carboxamide;ethyl 2-chlorothieno[3,2-d]pyrimidine-4-carboxylate;ethyl 2-(1-pyridin-3-ylpropylamino)thieno[3,2-d]pyrimidine-4-carboxylate;1-pyridin-3-ylpropan-1-amine;N-(1-pyridin-3-ylpropyl)-2-(1-pyridin-3-ylpropylamino)thieno[3,2-d]pyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: 2-chloro-N-(1-pyridin-3-ylpropyl)thieno[3,2-d]pyrimidine-4-carboxamide;ethyl 2-chlorothieno[3,2-d]pyrimidine-4-carboxylate;ethyl 2-(1-pyridin-3-ylpropylamino)thieno[3,2-d]pyrimidine-4-carboxylate;1-pyridin-3-ylpropan-1-amine;N-(1-pyridin-3-ylpropyl)-2-(1-pyridin-3-ylpropylamino)thieno[3,2-d]pyrimidine-4-carboxamide
• PubChem CID: 163496868
• Molecular Formula: C72H74Cl2N18O6S4
• Molecular Weight: 1486.68 g/mol
• Exact Mass: 1484.43
• IUPAC Name: 2-chloro-N-(1-pyridin-3-ylpropyl)thieno[3,2-d]pyrimidine-4-carboxamide;ethyl 2-chlorothieno[3,2-d]pyrimidine-4-carboxylate;ethyl 2-(1-pyridin-3-ylpropylamino)thieno[3,2-d]pyrimidine-4-carboxylate;1-pyridin-3-ylpropan-1-amine;N-(1-pyridin-3-ylpropyl)-2-(1-pyridin-3-ylpropylamino)thieno[3,2-d]pyrimidine-4-carboxamide
• SMILES: CCC(N)c1cccnc1.CCC(NC(=O)c1nc(Cl)nc2ccsc12)c1cccnc1.CCC(NC(=O)c1nc(NC(CC)c2cccnc2)nc2ccsc12)c1cccnc1.CCOC(=O)c1nc(Cl)nc2ccsc12.CCOC(=O)c1nc(NC(CC)c2cccnc2)nc2ccsc12
• InChI: InChI=1S/C23H24N6OS.C17H18N4O2S.C15H13ClN4OS.C9H7ClN2O2S.C8H12N2/c1-3-17(15-7-5-10-24-13-15)26-22(30)20-21-19(9-12-31-21)28-23(29-20)27-18(4-2)16-8-6-11-25-14-16;1-3-12(11-6-5-8-18-10-11)19-17-20-13-7-9-24-15(13)14(21-17)16(22)23-4-2;1-2-10(9-4-3-6-17-8-9)18-14(21)12-13-11(5-7-22-13)19-15(16)20-12;1-2-14-8(13)6-7-5(3-4-15-7)11-9(10)12-6;1-2-8(9)7-4-3-5-10-6-7/h5-14,17-18H,3-4H2,1-2H3,(H,26,30)(H,27,28,29);5-10,12H,3-4H2,1-2H3,(H,19,20,21);3-8,10H,2H2,1H3,(H,18,21);3-4H,2H2,1H3;3-6,8H,2,9H2,1H3
• InChIKey: CRMFVTSQFAUWEJ-UHFFFAOYSA-N
• XLogP: 16.39
• TPSA: 328.45 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 22
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1486.68
LogP ≤ 5	16.39
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-pyridin-3-ylpropyl)thieno[3,2-d]pyrimidine-4-carboxamide;ethyl 2-chlorothieno[3,2-d]pyrimidine-4-carboxylate;ethyl 2-(1-pyridin-3-ylpropylamino)thieno[3,2-d]pyrimidine-4-carboxylate;1-pyridin-3-ylpropan-1-amine;N-(1-pyridin-3-ylpropyl)-2-(1-pyridin-3-ylpropylamino)thieno[3,2-d]pyrimidine-4-carboxamide?

The IUPAC name of 2-chloro-N-(1-pyridin-3-ylpropyl)thieno[3,2-d]pyrimidine-4-carboxamide;ethyl 2-chlorothieno[3,2-d]pyrimidine-4-carboxylate;ethyl 2-(1-pyridin-3-ylpropylamino)thieno[3,2-d]pyrimidine-4-carboxylate;1-pyridin-3-ylpropan-1-amine;N-(1-pyridin-3-ylpropyl)-2-(1-pyridin-3-ylpropylamino)thieno[3,2-d]pyrimidine-4-carboxamide (CID 163496868) is 2-chloro-N-(1-pyridin-3-ylpropyl)thieno[3,2-d]pyrimidine-4-carboxamide;ethyl 2-chlorothieno[3,2-d]pyrimidine-4-carboxylate;ethyl 2-(1-pyridin-3-ylpropylamino)thieno[3,2-d]pyrimidine-4-carboxylate;1-pyridin-3-ylpropan-1-amine;N-(1-pyridin-3-ylpropyl)-2-(1-pyridin-3-ylpropylamino)thieno[3,2-d]pyrimidine-4-carboxamide.

What is the SMILES notation for 2-chloro-N-(1-pyridin-3-ylpropyl)thieno[3,2-d]pyrimidine-4-carboxamide;ethyl 2-chlorothieno[3,2-d]pyrimidine-4-carboxylate;ethyl 2-(1-pyridin-3-ylpropylamino)thieno[3,2-d]pyrimidine-4-carboxylate;1-pyridin-3-ylpropan-1-amine;N-(1-pyridin-3-ylpropyl)-2-(1-pyridin-3-ylpropylamino)thieno[3,2-d]pyrimidine-4-carboxamide?

The canonical SMILES for 2-chloro-N-(1-pyridin-3-ylpropyl)thieno[3,2-d]pyrimidine-4-carboxamide;ethyl 2-chlorothieno[3,2-d]pyrimidine-4-carboxylate;ethyl 2-(1-pyridin-3-ylpropylamino)thieno[3,2-d]pyrimidine-4-carboxylate;1-pyridin-3-ylpropan-1-amine;N-(1-pyridin-3-ylpropyl)-2-(1-pyridin-3-ylpropylamino)thieno[3,2-d]pyrimidine-4-carboxamide is CCC(N)c1cccnc1.CCC(NC(=O)c1nc(Cl)nc2ccsc12)c1cccnc1.CCC(NC(=O)c1nc(NC(CC)c2cccnc2)nc2ccsc12)c1cccnc1.CCOC(=O)c1nc(Cl)nc2ccsc12.CCOC(=O)c1nc(NC(CC)c2cccnc2)nc2ccsc12.

What is the InChIKey of 2-chloro-N-(1-pyridin-3-ylpropyl)thieno[3,2-d]pyrimidine-4-carboxamide;ethyl 2-chlorothieno[3,2-d]pyrimidine-4-carboxylate;ethyl 2-(1-pyridin-3-ylpropylamino)thieno[3,2-d]pyrimidine-4-carboxylate;1-pyridin-3-ylpropan-1-amine;N-(1-pyridin-3-ylpropyl)-2-(1-pyridin-3-ylpropylamino)thieno[3,2-d]pyrimidine-4-carboxamide?

The InChIKey is CRMFVTSQFAUWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6OS.C17H18N4O2S.C15H13ClN4OS.C9H7ClN2O2S.C8H12N2/c1-3-17(15-7-5-10-24-13-15)26-22(30)20-21-19(9-12-31-21)28-23(29-20)27-18(4-2)16-8-6-11-25-14-16;1-3-12(11-6-5-8-18-10-11)19-17-20-13-7-9-24-15(13)14(21-17)16(22)23-4-2;1-2-10(9-4-3-6-17-8-9)18-14(21)12-13-11(5-7-22-13)19-15(16)20-12;1-2-14-8(13)6-7-5(3-4-15-7)11-9(10)12-6;1-2-8(9)7-4-3-5-10-6-7/h5-14,17-18H,3-4H2,1-2H3,(H,26,30)(H,27,28,29);5-10,12H,3-4H2,1-2H3,(H,19,20,21);3-8,10H,2H2,1H3,(H,18,21);3-4H,2H2,1H3;3-6,8H,2,9H2,1H3.

What are the key properties of 2-chloro-N-(1-pyridin-3-ylpropyl)thieno[3,2-d]pyrimidine-4-carboxamide;ethyl 2-chlorothieno[3,2-d]pyrimidine-4-carboxylate;ethyl 2-(1-pyridin-3-ylpropylamino)thieno[3,2-d]pyrimidine-4-carboxylate;1-pyridin-3-ylpropan-1-amine;N-(1-pyridin-3-ylpropyl)-2-(1-pyridin-3-ylpropylamino)thieno[3,2-d]pyrimidine-4-carboxamide?

2-chloro-N-(1-pyridin-3-ylpropyl)thieno[3,2-d]pyrimidine-4-carboxamide;ethyl 2-chlorothieno[3,2-d]pyrimidine-4-carboxylate;ethyl 2-(1-pyridin-3-ylpropylamino)thieno[3,2-d]pyrimidine-4-carboxylate;1-pyridin-3-ylpropan-1-amine;N-(1-pyridin-3-ylpropyl)-2-(1-pyridin-3-ylpropylamino)thieno[3,2-d]pyrimidine-4-carboxamide has a molecular weight of 1486.68 g/mol, XLogP of 16.39, 22 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-(1-pyridin-3-ylpropyl)thieno[3,2-d]pyrimidine-4-carboxamide;ethyl 2-chlorothieno[3,2-d]pyrimidine-4-carboxylate;ethyl 2-(1-pyridin-3-ylpropylamino)thieno[3,2-d]pyrimidine-4-carboxylate;1-pyridin-3-ylpropan-1-amine;N-(1-pyridin-3-ylpropyl)-2-(1-pyridin-3-ylpropylamino)thieno[3,2-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 163496868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).