2-[[2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetyl]amino]acetic acid

C11H14N4O5S — CID 43465448

About 2-[[2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetyl]amino]acetic acid

2-[[2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetyl]amino]acetic acid (PubChem CID 43465448) has the molecular formula C11H14N4O5S and a molecular weight of 314.32 g/mol. Its IUPAC name is 2-[[2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetyl]amino]acetic acid.

Molecular Properties

• Compound Name: 2-[[2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetyl]amino]acetic acid
• PubChem CID: 43465448
• Molecular Formula: C11H14N4O5S
• Molecular Weight: 314.32 g/mol
• Exact Mass: 314.07
• IUPAC Name: 2-[[2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetyl]amino]acetic acid
• SMILES: CSc1nc(=O)[nH]c(C)c1C(=O)NCC(=O)NCC(=O)O
• InChI: InChI=1S/C11H14N4O5S/c1-5-8(10(21-2)15-11(20)14-5)9(19)13-3-6(16)12-4-7(17)18/h3-4H2,1-2H3,(H,12,16)(H,13,19)(H,17,18)(H,14,15,20)
• InChIKey: PCEZWZURTQUVFJ-UHFFFAOYSA-N
• XLogP: -1.27
• TPSA: 141.25 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	314.32
LogP ≤ 5	-1.27
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetyl]amino]acetic acid?

The IUPAC name of 2-[[2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetyl]amino]acetic acid (CID 43465448) is 2-[[2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetyl]amino]acetic acid.

What is the SMILES notation for 2-[[2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetyl]amino]acetic acid?

The canonical SMILES for 2-[[2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetyl]amino]acetic acid is CSc1nc(=O)[nH]c(C)c1C(=O)NCC(=O)NCC(=O)O.

What is the InChIKey of 2-[[2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetyl]amino]acetic acid?

The InChIKey is PCEZWZURTQUVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O5S/c1-5-8(10(21-2)15-11(20)14-5)9(19)13-3-6(16)12-4-7(17)18/h3-4H2,1-2H3,(H,12,16)(H,13,19)(H,17,18)(H,14,15,20).

What are the key properties of 2-[[2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetyl]amino]acetic acid?

2-[[2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetyl]amino]acetic acid has a molecular weight of 314.32 g/mol, XLogP of -1.27, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetyl]amino]acetic acid is sourced from PubChem (CID 43465448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).