ethyl 2-chlorothieno[3,2-d]pyrimidine-4-carboxylate;ethyl 2-[(6-fluoro-2-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxylate;(6-fluoro-2-pyridinyl)methanamine

C30H27ClF2N8O4S2 — CID 163562510

About ethyl 2-chlorothieno[3,2-d]pyrimidine-4-carboxylate;ethyl 2-[(6-fluoro-2-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxylate;(6-fluoro-2-pyridinyl)methanamine

ethyl 2-chlorothieno[3,2-d]pyrimidine-4-carboxylate;ethyl 2-[(6-fluoro-2-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxylate;(6-fluoro-2-pyridinyl)methanamine (PubChem CID 163562510) has the molecular formula C30H27ClF2N8O4S2 and a molecular weight of 701.18 g/mol. Its IUPAC name is ethyl 2-chlorothieno[3,2-d]pyrimidine-4-carboxylate;ethyl 2-[(6-fluoro-2-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxylate;(6-fluoro-2-pyridinyl)methanamine.

Molecular Properties

• Compound Name: ethyl 2-chlorothieno[3,2-d]pyrimidine-4-carboxylate;ethyl 2-[(6-fluoro-2-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxylate;(6-fluoro-2-pyridinyl)methanamine
• PubChem CID: 163562510
• Molecular Formula: C30H27ClF2N8O4S2
• Molecular Weight: 701.18 g/mol
• Exact Mass: 700.13
• IUPAC Name: ethyl 2-chlorothieno[3,2-d]pyrimidine-4-carboxylate;ethyl 2-[(6-fluoro-2-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxylate;(6-fluoro-2-pyridinyl)methanamine
• SMILES: CCOC(=O)c1nc(Cl)nc2ccsc12.CCOC(=O)c1nc(NCc2cccc(F)n2)nc2ccsc12.NCc1cccc(F)n1
• InChI: InChI=1S/C15H13FN4O2S.C9H7ClN2O2S.C6H7FN2/c1-2-22-14(21)12-13-10(6-7-23-13)19-15(20-12)17-8-9-4-3-5-11(16)18-9;1-2-14-8(13)6-7-5(3-4-15-7)11-9(10)12-6;7-6-3-1-2-5(4-8)9-6/h3-7H,2,8H2,1H3,(H,17,19,20);3-4H,2H2,1H3;1-3H,4,8H2
• InChIKey: FSLMGKIHJPKDOB-UHFFFAOYSA-N
• XLogP: 6.22
• TPSA: 167.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	701.18
LogP ≤ 5	6.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chlorothieno[3,2-d]pyrimidine-4-carboxylate;ethyl 2-[(6-fluoro-2-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxylate;(6-fluoro-2-pyridinyl)methanamine?

The IUPAC name of ethyl 2-chlorothieno[3,2-d]pyrimidine-4-carboxylate;ethyl 2-[(6-fluoro-2-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxylate;(6-fluoro-2-pyridinyl)methanamine (CID 163562510) is ethyl 2-chlorothieno[3,2-d]pyrimidine-4-carboxylate;ethyl 2-[(6-fluoro-2-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxylate;(6-fluoro-2-pyridinyl)methanamine.

What is the SMILES notation for ethyl 2-chlorothieno[3,2-d]pyrimidine-4-carboxylate;ethyl 2-[(6-fluoro-2-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxylate;(6-fluoro-2-pyridinyl)methanamine?

The canonical SMILES for ethyl 2-chlorothieno[3,2-d]pyrimidine-4-carboxylate;ethyl 2-[(6-fluoro-2-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxylate;(6-fluoro-2-pyridinyl)methanamine is CCOC(=O)c1nc(Cl)nc2ccsc12.CCOC(=O)c1nc(NCc2cccc(F)n2)nc2ccsc12.NCc1cccc(F)n1.

What is the InChIKey of ethyl 2-chlorothieno[3,2-d]pyrimidine-4-carboxylate;ethyl 2-[(6-fluoro-2-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxylate;(6-fluoro-2-pyridinyl)methanamine?

The InChIKey is FSLMGKIHJPKDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O2S.C9H7ClN2O2S.C6H7FN2/c1-2-22-14(21)12-13-10(6-7-23-13)19-15(20-12)17-8-9-4-3-5-11(16)18-9;1-2-14-8(13)6-7-5(3-4-15-7)11-9(10)12-6;7-6-3-1-2-5(4-8)9-6/h3-7H,2,8H2,1H3,(H,17,19,20);3-4H,2H2,1H3;1-3H,4,8H2.

What are the key properties of ethyl 2-chlorothieno[3,2-d]pyrimidine-4-carboxylate;ethyl 2-[(6-fluoro-2-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxylate;(6-fluoro-2-pyridinyl)methanamine?

ethyl 2-chlorothieno[3,2-d]pyrimidine-4-carboxylate;ethyl 2-[(6-fluoro-2-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxylate;(6-fluoro-2-pyridinyl)methanamine has a molecular weight of 701.18 g/mol, XLogP of 6.22, 8 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-chlorothieno[3,2-d]pyrimidine-4-carboxylate;ethyl 2-[(6-fluoro-2-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxylate;(6-fluoro-2-pyridinyl)methanamine is sourced from PubChem (CID 163562510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).