6-methyl-2-oxo-4-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanyl-1H-pyrimidine-5-carboxylic acid

C12H13N3O5S — CID 43352661

About 6-methyl-2-oxo-4-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanyl-1H-pyrimidine-5-carboxylic acid

6-methyl-2-oxo-4-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanyl-1H-pyrimidine-5-carboxylic acid (PubChem CID 43352661) has the molecular formula C12H13N3O5S and a molecular weight of 311.32 g/mol. Its IUPAC name is 6-methyl-2-oxo-4-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanyl-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

• Compound Name: 6-methyl-2-oxo-4-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanyl-1H-pyrimidine-5-carboxylic acid
• PubChem CID: 43352661
• Molecular Formula: C12H13N3O5S
• Molecular Weight: 311.32 g/mol
• Exact Mass: 311.06
• IUPAC Name: 6-methyl-2-oxo-4-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanyl-1H-pyrimidine-5-carboxylic acid
• SMILES: Cc1[nH]c(=O)nc(SCC(=O)N2CCCC2=O)c1C(=O)O
• InChI: InChI=1S/C12H13N3O5S/c1-6-9(11(18)19)10(14-12(20)13-6)21-5-8(17)15-4-2-3-7(15)16/h2-5H2,1H3,(H,18,19)(H,13,14,20)
• InChIKey: GKHJYNDVZUWEKW-UHFFFAOYSA-N
• XLogP: 0.02
• TPSA: 120.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	311.32
LogP ≤ 5	0.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxo-4-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanyl-1H-pyrimidine-5-carboxylic acid?

The IUPAC name of 6-methyl-2-oxo-4-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanyl-1H-pyrimidine-5-carboxylic acid (CID 43352661) is 6-methyl-2-oxo-4-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanyl-1H-pyrimidine-5-carboxylic acid.

What is the SMILES notation for 6-methyl-2-oxo-4-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanyl-1H-pyrimidine-5-carboxylic acid?

The canonical SMILES for 6-methyl-2-oxo-4-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanyl-1H-pyrimidine-5-carboxylic acid is Cc1[nH]c(=O)nc(SCC(=O)N2CCCC2=O)c1C(=O)O.

What is the InChIKey of 6-methyl-2-oxo-4-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanyl-1H-pyrimidine-5-carboxylic acid?

The InChIKey is GKHJYNDVZUWEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O5S/c1-6-9(11(18)19)10(14-12(20)13-6)21-5-8(17)15-4-2-3-7(15)16/h2-5H2,1H3,(H,18,19)(H,13,14,20).

What are the key properties of 6-methyl-2-oxo-4-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanyl-1H-pyrimidine-5-carboxylic acid?

6-methyl-2-oxo-4-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanyl-1H-pyrimidine-5-carboxylic acid has a molecular weight of 311.32 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-2-oxo-4-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanyl-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 43352661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).