4-methoxy-2-(methoxymethyl)-5-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylthieno[2,3-d]pyrimidine-6-carboxamide

C22H23F3N4O4S — CID 55451068

About 4-methoxy-2-(methoxymethyl)-5-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylthieno[2,3-d]pyrimidine-6-carboxamide

4-methoxy-2-(methoxymethyl)-5-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 55451068) has the molecular formula C22H23F3N4O4S and a molecular weight of 496.51 g/mol. Its IUPAC name is 4-methoxy-2-(methoxymethyl)-5-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 4-methoxy-2-(methoxymethyl)-5-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylthieno[2,3-d]pyrimidine-6-carboxamide
• PubChem CID: 55451068
• Molecular Formula: C22H23F3N4O4S
• Molecular Weight: 496.51 g/mol
• Exact Mass: 496.14
• IUPAC Name: 4-methoxy-2-(methoxymethyl)-5-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylthieno[2,3-d]pyrimidine-6-carboxamide
• SMILES: CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1sc2nc(COC)nc(OC)c2c1C
• InChI: InChI=1S/C22H23F3N4O4S/c1-5-8-29(9-15(30)26-13-7-6-12(23)17(24)18(13)25)22(31)19-11(2)16-20(33-4)27-14(10-32-3)28-21(16)34-19/h6-7H,5,8-10H2,1-4H3,(H,26,30)
• InChIKey: UKVYAHRPDSIUIC-UHFFFAOYSA-N
• XLogP: 4.06
• TPSA: 93.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.51
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(methoxymethyl)-5-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylthieno[2,3-d]pyrimidine-6-carboxamide?

The IUPAC name of 4-methoxy-2-(methoxymethyl)-5-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylthieno[2,3-d]pyrimidine-6-carboxamide (CID 55451068) is 4-methoxy-2-(methoxymethyl)-5-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylthieno[2,3-d]pyrimidine-6-carboxamide.

What is the SMILES notation for 4-methoxy-2-(methoxymethyl)-5-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylthieno[2,3-d]pyrimidine-6-carboxamide?

The canonical SMILES for 4-methoxy-2-(methoxymethyl)-5-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylthieno[2,3-d]pyrimidine-6-carboxamide is CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1sc2nc(COC)nc(OC)c2c1C.

What is the InChIKey of 4-methoxy-2-(methoxymethyl)-5-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylthieno[2,3-d]pyrimidine-6-carboxamide?

The InChIKey is UKVYAHRPDSIUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O4S/c1-5-8-29(9-15(30)26-13-7-6-12(23)17(24)18(13)25)22(31)19-11(2)16-20(33-4)27-14(10-32-3)28-21(16)34-19/h6-7H,5,8-10H2,1-4H3,(H,26,30).

What are the key properties of 4-methoxy-2-(methoxymethyl)-5-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylthieno[2,3-d]pyrimidine-6-carboxamide?

4-methoxy-2-(methoxymethyl)-5-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 496.51 g/mol, XLogP of 4.06, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-2-(methoxymethyl)-5-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 55451068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).