2-chloro-N-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidine-4-carboxamide;ethyl 2-chlorothieno[3,2-d]pyrimidine-4-carboxylate;ethyl 2-(1-pyridin-3-ylethylamino)thieno[3,2-d]pyrimidine-4-carboxylate;1-pyridin-3-ylethanamine;N-(1-pyridin-3-ylethyl)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide

C65H60Cl2N18O6S4 — CID 163591510

About 2-chloro-N-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidine-4-carboxamide;ethyl 2-chlorothieno[3,2-d]pyrimidine-4-carboxylate;ethyl 2-(1-pyridin-3-ylethylamino)thieno[3,2-d]pyrimidine-4-carboxylate;1-pyridin-3-ylethanamine;N-(1-pyridin-3-ylethyl)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide

2-chloro-N-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidine-4-carboxamide;ethyl 2-chlorothieno[3,2-d]pyrimidine-4-carboxylate;ethyl 2-(1-pyridin-3-ylethylamino)thieno[3,2-d]pyrimidine-4-carboxylate;1-pyridin-3-ylethanamine;N-(1-pyridin-3-ylethyl)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide (PubChem CID 163591510) has the molecular formula C65H60Cl2N18O6S4 and a molecular weight of 1388.49 g/mol. Its IUPAC name is 2-chloro-N-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidine-4-carboxamide;ethyl 2-chlorothieno[3,2-d]pyrimidine-4-carboxylate;ethyl 2-(1-pyridin-3-ylethylamino)thieno[3,2-d]pyrimidine-4-carboxylate;1-pyridin-3-ylethanamine;N-(1-pyridin-3-ylethyl)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: 2-chloro-N-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidine-4-carboxamide;ethyl 2-chlorothieno[3,2-d]pyrimidine-4-carboxylate;ethyl 2-(1-pyridin-3-ylethylamino)thieno[3,2-d]pyrimidine-4-carboxylate;1-pyridin-3-ylethanamine;N-(1-pyridin-3-ylethyl)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide
• PubChem CID: 163591510
• Molecular Formula: C65H60Cl2N18O6S4
• Molecular Weight: 1388.49 g/mol
• Exact Mass: 1386.32
• IUPAC Name: 2-chloro-N-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidine-4-carboxamide;ethyl 2-chlorothieno[3,2-d]pyrimidine-4-carboxylate;ethyl 2-(1-pyridin-3-ylethylamino)thieno[3,2-d]pyrimidine-4-carboxylate;1-pyridin-3-ylethanamine;N-(1-pyridin-3-ylethyl)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide
• SMILES: CC(N)c1cccnc1.CC(NC(=O)c1nc(NCc2cccnc2)nc2ccsc12)c1cccnc1.CCOC(=O)c1nc(Cl)nc2ccsc12.CCOC(=O)c1nc(NC(C)c2cccnc2)nc2ccsc12.O=C(NCc1cccnc1)c1nc(Cl)nc2ccsc12
• InChI: InChI=1S/C20H18N6OS.C16H16N4O2S.C13H9ClN4OS.C9H7ClN2O2S.C7H10N2/c1-13(15-5-3-8-22-12-15)24-19(27)17-18-16(6-9-28-18)25-20(26-17)23-11-14-4-2-7-21-10-14;1-3-22-15(21)13-14-12(6-8-23-14)19-16(20-13)18-10(2)11-5-4-7-17-9-11;14-13-17-9-3-5-20-11(9)10(18-13)12(19)16-7-8-2-1-4-15-6-8;1-2-14-8(13)6-7-5(3-4-15-7)11-9(10)12-6;1-6(8)7-3-2-4-9-5-7/h2-10,12-13H,11H2,1H3,(H,24,27)(H,23,25,26);4-10H,3H2,1-2H3,(H,18,19,20);1-6H,7H2,(H,16,19);3-4H,2H2,1H3;2-6H,8H2,1H3
• InChIKey: GPXAFWPZWBMGPW-UHFFFAOYSA-N
• XLogP: 13.31
• TPSA: 328.45 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 17
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1388.49
LogP ≤ 5	13.31
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidine-4-carboxamide;ethyl 2-chlorothieno[3,2-d]pyrimidine-4-carboxylate;ethyl 2-(1-pyridin-3-ylethylamino)thieno[3,2-d]pyrimidine-4-carboxylate;1-pyridin-3-ylethanamine;N-(1-pyridin-3-ylethyl)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide?

The IUPAC name of 2-chloro-N-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidine-4-carboxamide;ethyl 2-chlorothieno[3,2-d]pyrimidine-4-carboxylate;ethyl 2-(1-pyridin-3-ylethylamino)thieno[3,2-d]pyrimidine-4-carboxylate;1-pyridin-3-ylethanamine;N-(1-pyridin-3-ylethyl)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide (CID 163591510) is 2-chloro-N-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidine-4-carboxamide;ethyl 2-chlorothieno[3,2-d]pyrimidine-4-carboxylate;ethyl 2-(1-pyridin-3-ylethylamino)thieno[3,2-d]pyrimidine-4-carboxylate;1-pyridin-3-ylethanamine;N-(1-pyridin-3-ylethyl)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide.

What is the SMILES notation for 2-chloro-N-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidine-4-carboxamide;ethyl 2-chlorothieno[3,2-d]pyrimidine-4-carboxylate;ethyl 2-(1-pyridin-3-ylethylamino)thieno[3,2-d]pyrimidine-4-carboxylate;1-pyridin-3-ylethanamine;N-(1-pyridin-3-ylethyl)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide?

The canonical SMILES for 2-chloro-N-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidine-4-carboxamide;ethyl 2-chlorothieno[3,2-d]pyrimidine-4-carboxylate;ethyl 2-(1-pyridin-3-ylethylamino)thieno[3,2-d]pyrimidine-4-carboxylate;1-pyridin-3-ylethanamine;N-(1-pyridin-3-ylethyl)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide is CC(N)c1cccnc1.CC(NC(=O)c1nc(NCc2cccnc2)nc2ccsc12)c1cccnc1.CCOC(=O)c1nc(Cl)nc2ccsc12.CCOC(=O)c1nc(NC(C)c2cccnc2)nc2ccsc12.O=C(NCc1cccnc1)c1nc(Cl)nc2ccsc12.

What is the InChIKey of 2-chloro-N-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidine-4-carboxamide;ethyl 2-chlorothieno[3,2-d]pyrimidine-4-carboxylate;ethyl 2-(1-pyridin-3-ylethylamino)thieno[3,2-d]pyrimidine-4-carboxylate;1-pyridin-3-ylethanamine;N-(1-pyridin-3-ylethyl)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide?

The InChIKey is GPXAFWPZWBMGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6OS.C16H16N4O2S.C13H9ClN4OS.C9H7ClN2O2S.C7H10N2/c1-13(15-5-3-8-22-12-15)24-19(27)17-18-16(6-9-28-18)25-20(26-17)23-11-14-4-2-7-21-10-14;1-3-22-15(21)13-14-12(6-8-23-14)19-16(20-13)18-10(2)11-5-4-7-17-9-11;14-13-17-9-3-5-20-11(9)10(18-13)12(19)16-7-8-2-1-4-15-6-8;1-2-14-8(13)6-7-5(3-4-15-7)11-9(10)12-6;1-6(8)7-3-2-4-9-5-7/h2-10,12-13H,11H2,1H3,(H,24,27)(H,23,25,26);4-10H,3H2,1-2H3,(H,18,19,20);1-6H,7H2,(H,16,19);3-4H,2H2,1H3;2-6H,8H2,1H3.

What are the key properties of 2-chloro-N-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidine-4-carboxamide;ethyl 2-chlorothieno[3,2-d]pyrimidine-4-carboxylate;ethyl 2-(1-pyridin-3-ylethylamino)thieno[3,2-d]pyrimidine-4-carboxylate;1-pyridin-3-ylethanamine;N-(1-pyridin-3-ylethyl)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide?

2-chloro-N-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidine-4-carboxamide;ethyl 2-chlorothieno[3,2-d]pyrimidine-4-carboxylate;ethyl 2-(1-pyridin-3-ylethylamino)thieno[3,2-d]pyrimidine-4-carboxylate;1-pyridin-3-ylethanamine;N-(1-pyridin-3-ylethyl)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide has a molecular weight of 1388.49 g/mol, XLogP of 13.31, 17 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidine-4-carboxamide;ethyl 2-chlorothieno[3,2-d]pyrimidine-4-carboxylate;ethyl 2-(1-pyridin-3-ylethylamino)thieno[3,2-d]pyrimidine-4-carboxylate;1-pyridin-3-ylethanamine;N-(1-pyridin-3-ylethyl)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 163591510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).