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

C11H14N4O5S — CID 43357186

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

4-amino-2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]-4-oxobutanoic acid (PubChem CID 43357186) has the molecular formula C11H14N4O5S and a molecular weight of 314.32 g/mol. Its IUPAC name is 4-amino-2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]-4-oxobutanoic acid.

Molecular Properties

• Compound Name: 4-amino-2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]-4-oxobutanoic acid
• PubChem CID: 43357186
• Molecular Formula: C11H14N4O5S
• Molecular Weight: 314.32 g/mol
• Exact Mass: 314.07
• IUPAC Name: 4-amino-2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]-4-oxobutanoic acid
• SMILES: CSc1nc(=O)[nH]c(C)c1C(=O)NC(CC(N)=O)C(=O)O
• InChI: InChI=1S/C11H14N4O5S/c1-4-7(9(21-2)15-11(20)13-4)8(17)14-5(10(18)19)3-6(12)16/h5H,3H2,1-2H3,(H2,12,16)(H,14,17)(H,18,19)(H,13,15,20)
• InChIKey: JWJSTEWALPTJTO-UHFFFAOYSA-N
• XLogP: -1.14
• TPSA: 155.24 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	-1.14
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-amino-2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]-4-oxobutanoic acid (CID 43357186) is 4-amino-2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]-4-oxobutanoic acid.

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

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

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

The InChIKey is JWJSTEWALPTJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O5S/c1-4-7(9(21-2)15-11(20)13-4)8(17)14-5(10(18)19)3-6(12)16/h5H,3H2,1-2H3,(H2,12,16)(H,14,17)(H,18,19)(H,13,15,20).

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

4-amino-2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]-4-oxobutanoic acid has a molecular weight of 314.32 g/mol, XLogP of -1.14, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 43357186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).