2-chloro-N-[(5-fluoro-3-pyridinyl)methyl]thieno[3,2-d]pyrimidine-4-carboxamide;ethyl 2-chlorothieno[3,2-d]pyrimidine-4-carboxylate;ethyl 2-[(5-fluoro-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxylate;(5-fluoro-3-pyridinyl)methanamine;N-[(5-fluoro-3-pyridinyl)methyl]-2-[(5-fluoro-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxamide

C62H49Cl2F5N18O6S4 — CID 163467350

About 2-chloro-N-[(5-fluoro-3-pyridinyl)methyl]thieno[3,2-d]pyrimidine-4-carboxamide;ethyl 2-chlorothieno[3,2-d]pyrimidine-4-carboxylate;ethyl 2-[(5-fluoro-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxylate;(5-fluoro-3-pyridinyl)methanamine;N-[(5-fluoro-3-pyridinyl)methyl]-2-[(5-fluoro-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxamide

2-chloro-N-[(5-fluoro-3-pyridinyl)methyl]thieno[3,2-d]pyrimidine-4-carboxamide;ethyl 2-chlorothieno[3,2-d]pyrimidine-4-carboxylate;ethyl 2-[(5-fluoro-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxylate;(5-fluoro-3-pyridinyl)methanamine;N-[(5-fluoro-3-pyridinyl)methyl]-2-[(5-fluoro-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxamide (PubChem CID 163467350) has the molecular formula C62H49Cl2F5N18O6S4 and a molecular weight of 1436.36 g/mol. Its IUPAC name is 2-chloro-N-[(5-fluoro-3-pyridinyl)methyl]thieno[3,2-d]pyrimidine-4-carboxamide;ethyl 2-chlorothieno[3,2-d]pyrimidine-4-carboxylate;ethyl 2-[(5-fluoro-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxylate;(5-fluoro-3-pyridinyl)methanamine;N-[(5-fluoro-3-pyridinyl)methyl]-2-[(5-fluoro-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: 2-chloro-N-[(5-fluoro-3-pyridinyl)methyl]thieno[3,2-d]pyrimidine-4-carboxamide;ethyl 2-chlorothieno[3,2-d]pyrimidine-4-carboxylate;ethyl 2-[(5-fluoro-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxylate;(5-fluoro-3-pyridinyl)methanamine;N-[(5-fluoro-3-pyridinyl)methyl]-2-[(5-fluoro-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxamide
• PubChem CID: 163467350
• Molecular Formula: C62H49Cl2F5N18O6S4
• Molecular Weight: 1436.36 g/mol
• Exact Mass: 1434.23
• IUPAC Name: 2-chloro-N-[(5-fluoro-3-pyridinyl)methyl]thieno[3,2-d]pyrimidine-4-carboxamide;ethyl 2-chlorothieno[3,2-d]pyrimidine-4-carboxylate;ethyl 2-[(5-fluoro-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxylate;(5-fluoro-3-pyridinyl)methanamine;N-[(5-fluoro-3-pyridinyl)methyl]-2-[(5-fluoro-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxamide
• SMILES: CCOC(=O)c1nc(Cl)nc2ccsc12.CCOC(=O)c1nc(NCc2cncc(F)c2)nc2ccsc12.NCc1cncc(F)c1.O=C(NCc1cncc(F)c1)c1nc(Cl)nc2ccsc12.O=C(NCc1cncc(F)c1)c1nc(NCc2cncc(F)c2)nc2ccsc12
• InChI: InChI=1S/C19H14F2N6OS.C15H13FN4O2S.C13H8ClFN4OS.C9H7ClN2O2S.C6H7FN2/c20-13-3-11(5-22-9-13)7-24-18(28)16-17-15(1-2-29-17)26-19(27-16)25-8-12-4-14(21)10-23-6-12;1-2-22-14(21)12-13-11(3-4-23-13)19-15(20-12)18-7-9-5-10(16)8-17-6-9;14-13-18-9-1-2-21-11(9)10(19-13)12(20)17-5-7-3-8(15)6-16-4-7;1-2-14-8(13)6-7-5(3-4-15-7)11-9(10)12-6;7-6-1-5(2-8)3-9-4-6/h1-6,9-10H,7-8H2,(H,24,28)(H,25,26,27);3-6,8H,2,7H2,1H3,(H,18,19,20);1-4,6H,5H2,(H,17,20);3-4H,2H2,1H3;1,3-4H,2,8H2
• InChIKey: BTSOQTXDZPDNMW-UHFFFAOYSA-N
• XLogP: 12.33
• TPSA: 328.45 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 17
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1436.36
LogP ≤ 5	12.33
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(5-fluoro-3-pyridinyl)methyl]thieno[3,2-d]pyrimidine-4-carboxamide;ethyl 2-chlorothieno[3,2-d]pyrimidine-4-carboxylate;ethyl 2-[(5-fluoro-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxylate;(5-fluoro-3-pyridinyl)methanamine;N-[(5-fluoro-3-pyridinyl)methyl]-2-[(5-fluoro-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxamide?

The IUPAC name of 2-chloro-N-[(5-fluoro-3-pyridinyl)methyl]thieno[3,2-d]pyrimidine-4-carboxamide;ethyl 2-chlorothieno[3,2-d]pyrimidine-4-carboxylate;ethyl 2-[(5-fluoro-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxylate;(5-fluoro-3-pyridinyl)methanamine;N-[(5-fluoro-3-pyridinyl)methyl]-2-[(5-fluoro-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxamide (CID 163467350) is 2-chloro-N-[(5-fluoro-3-pyridinyl)methyl]thieno[3,2-d]pyrimidine-4-carboxamide;ethyl 2-chlorothieno[3,2-d]pyrimidine-4-carboxylate;ethyl 2-[(5-fluoro-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxylate;(5-fluoro-3-pyridinyl)methanamine;N-[(5-fluoro-3-pyridinyl)methyl]-2-[(5-fluoro-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxamide.

What is the SMILES notation for 2-chloro-N-[(5-fluoro-3-pyridinyl)methyl]thieno[3,2-d]pyrimidine-4-carboxamide;ethyl 2-chlorothieno[3,2-d]pyrimidine-4-carboxylate;ethyl 2-[(5-fluoro-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxylate;(5-fluoro-3-pyridinyl)methanamine;N-[(5-fluoro-3-pyridinyl)methyl]-2-[(5-fluoro-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxamide?

The canonical SMILES for 2-chloro-N-[(5-fluoro-3-pyridinyl)methyl]thieno[3,2-d]pyrimidine-4-carboxamide;ethyl 2-chlorothieno[3,2-d]pyrimidine-4-carboxylate;ethyl 2-[(5-fluoro-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxylate;(5-fluoro-3-pyridinyl)methanamine;N-[(5-fluoro-3-pyridinyl)methyl]-2-[(5-fluoro-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxamide is CCOC(=O)c1nc(Cl)nc2ccsc12.CCOC(=O)c1nc(NCc2cncc(F)c2)nc2ccsc12.NCc1cncc(F)c1.O=C(NCc1cncc(F)c1)c1nc(Cl)nc2ccsc12.O=C(NCc1cncc(F)c1)c1nc(NCc2cncc(F)c2)nc2ccsc12.

What is the InChIKey of 2-chloro-N-[(5-fluoro-3-pyridinyl)methyl]thieno[3,2-d]pyrimidine-4-carboxamide;ethyl 2-chlorothieno[3,2-d]pyrimidine-4-carboxylate;ethyl 2-[(5-fluoro-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxylate;(5-fluoro-3-pyridinyl)methanamine;N-[(5-fluoro-3-pyridinyl)methyl]-2-[(5-fluoro-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxamide?

The InChIKey is BTSOQTXDZPDNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N6OS.C15H13FN4O2S.C13H8ClFN4OS.C9H7ClN2O2S.C6H7FN2/c20-13-3-11(5-22-9-13)7-24-18(28)16-17-15(1-2-29-17)26-19(27-16)25-8-12-4-14(21)10-23-6-12;1-2-22-14(21)12-13-11(3-4-23-13)19-15(20-12)18-7-9-5-10(16)8-17-6-9;14-13-18-9-1-2-21-11(9)10(19-13)12(20)17-5-7-3-8(15)6-16-4-7;1-2-14-8(13)6-7-5(3-4-15-7)11-9(10)12-6;7-6-1-5(2-8)3-9-4-6/h1-6,9-10H,7-8H2,(H,24,28)(H,25,26,27);3-6,8H,2,7H2,1H3,(H,18,19,20);1-4,6H,5H2,(H,17,20);3-4H,2H2,1H3;1,3-4H,2,8H2.

What are the key properties of 2-chloro-N-[(5-fluoro-3-pyridinyl)methyl]thieno[3,2-d]pyrimidine-4-carboxamide;ethyl 2-chlorothieno[3,2-d]pyrimidine-4-carboxylate;ethyl 2-[(5-fluoro-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxylate;(5-fluoro-3-pyridinyl)methanamine;N-[(5-fluoro-3-pyridinyl)methyl]-2-[(5-fluoro-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxamide?

2-chloro-N-[(5-fluoro-3-pyridinyl)methyl]thieno[3,2-d]pyrimidine-4-carboxamide;ethyl 2-chlorothieno[3,2-d]pyrimidine-4-carboxylate;ethyl 2-[(5-fluoro-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxylate;(5-fluoro-3-pyridinyl)methanamine;N-[(5-fluoro-3-pyridinyl)methyl]-2-[(5-fluoro-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxamide has a molecular weight of 1436.36 g/mol, XLogP of 12.33, 17 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[(5-fluoro-3-pyridinyl)methyl]thieno[3,2-d]pyrimidine-4-carboxamide;ethyl 2-chlorothieno[3,2-d]pyrimidine-4-carboxylate;ethyl 2-[(5-fluoro-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxylate;(5-fluoro-3-pyridinyl)methanamine;N-[(5-fluoro-3-pyridinyl)methyl]-2-[(5-fluoro-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 163467350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).