methyl 2-[3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-oxopyrrolidin-1-yl]thiophene-3-carboxylate

C16H18N4O3S — CID 133355407

About methyl 2-[3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-oxopyrrolidin-1-yl]thiophene-3-carboxylate

methyl 2-[3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-oxopyrrolidin-1-yl]thiophene-3-carboxylate (PubChem CID 133355407) has the molecular formula C16H18N4O3S and a molecular weight of 346.41 g/mol. Its IUPAC name is methyl 2-[3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-oxopyrrolidin-1-yl]thiophene-3-carboxylate.

Molecular Properties

• Compound Name: methyl 2-[3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-oxopyrrolidin-1-yl]thiophene-3-carboxylate
• PubChem CID: 133355407
• Molecular Formula: C16H18N4O3S
• Molecular Weight: 346.41 g/mol
• Exact Mass: 346.11
• IUPAC Name: methyl 2-[3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-oxopyrrolidin-1-yl]thiophene-3-carboxylate
• SMILES: COC(=O)c1ccsc1N1CCC(Nc2nc(C)cc(C)n2)C1=O
• InChI: InChI=1S/C16H18N4O3S/c1-9-8-10(2)18-16(17-9)19-12-4-6-20(13(12)21)14-11(5-7-24-14)15(22)23-3/h5,7-8,12H,4,6H2,1-3H3,(H,17,18,19)
• InChIKey: RJYCKPQVDWPDCK-UHFFFAOYSA-N
• XLogP: 2.16
• TPSA: 84.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	346.41
LogP ≤ 5	2.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-oxopyrrolidin-1-yl]thiophene-3-carboxylate?

The IUPAC name of methyl 2-[3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-oxopyrrolidin-1-yl]thiophene-3-carboxylate (CID 133355407) is methyl 2-[3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-oxopyrrolidin-1-yl]thiophene-3-carboxylate.

What is the SMILES notation for methyl 2-[3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-oxopyrrolidin-1-yl]thiophene-3-carboxylate?

The canonical SMILES for methyl 2-[3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-oxopyrrolidin-1-yl]thiophene-3-carboxylate is COC(=O)c1ccsc1N1CCC(Nc2nc(C)cc(C)n2)C1=O.

What is the InChIKey of methyl 2-[3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-oxopyrrolidin-1-yl]thiophene-3-carboxylate?

The InChIKey is RJYCKPQVDWPDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3S/c1-9-8-10(2)18-16(17-9)19-12-4-6-20(13(12)21)14-11(5-7-24-14)15(22)23-3/h5,7-8,12H,4,6H2,1-3H3,(H,17,18,19).

What are the key properties of methyl 2-[3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-oxopyrrolidin-1-yl]thiophene-3-carboxylate?

methyl 2-[3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-oxopyrrolidin-1-yl]thiophene-3-carboxylate has a molecular weight of 346.41 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-oxopyrrolidin-1-yl]thiophene-3-carboxylate is sourced from PubChem (CID 133355407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).