ethyl 2-(2-methoxy-2-oxoethyl)-4-[(2-methoxy-2-oxoethyl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate

C16H19N3O6S — CID 3244509

About ethyl 2-(2-methoxy-2-oxoethyl)-4-[(2-methoxy-2-oxoethyl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate

ethyl 2-(2-methoxy-2-oxoethyl)-4-[(2-methoxy-2-oxoethyl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 3244509) has the molecular formula C16H19N3O6S and a molecular weight of 381.41 g/mol. Its IUPAC name is ethyl 2-(2-methoxy-2-oxoethyl)-4-[(2-methoxy-2-oxoethyl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

• Compound Name: ethyl 2-(2-methoxy-2-oxoethyl)-4-[(2-methoxy-2-oxoethyl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
• PubChem CID: 3244509
• Molecular Formula: C16H19N3O6S
• Molecular Weight: 381.41 g/mol
• Exact Mass: 381.10
• IUPAC Name: ethyl 2-(2-methoxy-2-oxoethyl)-4-[(2-methoxy-2-oxoethyl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
• SMILES: CCOC(=O)c1sc2nc(CC(=O)OC)nc(NCC(=O)OC)c2c1C
• InChI: InChI=1S/C16H19N3O6S/c1-5-25-16(22)13-8(2)12-14(17-7-11(21)24-4)18-9(6-10(20)23-3)19-15(12)26-13/h5-7H2,1-4H3,(H,17,18,19)
• InChIKey: LNLPZNUUEHBQRO-UHFFFAOYSA-N
• XLogP: 1.48
• TPSA: 116.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.41
LogP ≤ 5	1.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methoxy-2-oxoethyl)-4-[(2-methoxy-2-oxoethyl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate?

The IUPAC name of ethyl 2-(2-methoxy-2-oxoethyl)-4-[(2-methoxy-2-oxoethyl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate (CID 3244509) is ethyl 2-(2-methoxy-2-oxoethyl)-4-[(2-methoxy-2-oxoethyl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate.

What is the SMILES notation for ethyl 2-(2-methoxy-2-oxoethyl)-4-[(2-methoxy-2-oxoethyl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate?

The canonical SMILES for ethyl 2-(2-methoxy-2-oxoethyl)-4-[(2-methoxy-2-oxoethyl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)c1sc2nc(CC(=O)OC)nc(NCC(=O)OC)c2c1C.

What is the InChIKey of ethyl 2-(2-methoxy-2-oxoethyl)-4-[(2-methoxy-2-oxoethyl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate?

The InChIKey is LNLPZNUUEHBQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O6S/c1-5-25-16(22)13-8(2)12-14(17-7-11(21)24-4)18-9(6-10(20)23-3)19-15(12)26-13/h5-7H2,1-4H3,(H,17,18,19).

What are the key properties of ethyl 2-(2-methoxy-2-oxoethyl)-4-[(2-methoxy-2-oxoethyl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate?

ethyl 2-(2-methoxy-2-oxoethyl)-4-[(2-methoxy-2-oxoethyl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 381.41 g/mol, XLogP of 1.48, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-(2-methoxy-2-oxoethyl)-4-[(2-methoxy-2-oxoethyl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 3244509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).