2-(2-methyl-4-methylsulfanyl-6-oxopyrimidin-1-yl)acetic acid

C8H10N2O3S — CID 57185797

IUPAC2-(2-methyl-4-methylsulfanyl-6-oxopyrimidin-1-yl)acetic acid
SMILESCSc1cc(=O)n(CC(=O)O)c(C)n1
InChIInChI=1S/C8H10N2O3S/c1-5-9-6(14-2)3-7(11)10(5)4-8(12)13/h3H,4H2,1-2H3,(H,12,13)
InChIKeyFQFPEAIYOIZBJD-UHFFFAOYSA-N
MW214.25 g/mol
LogP0.36
Rot. Bonds3

About 2-(2-methyl-4-methylsulfanyl-6-oxopyrimidin-1-yl)acetic acid

2-(2-methyl-4-methylsulfanyl-6-oxopyrimidin-1-yl)acetic acid (PubChem CID 57185797) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is 2-(2-methyl-4-methylsulfanyl-6-oxopyrimidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2-methyl-4-methylsulfanyl-6-oxopyrimidin-1-yl)acetic acid
PubChem CID57185797
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC Name2-(2-methyl-4-methylsulfanyl-6-oxopyrimidin-1-yl)acetic acid
SMILESCSc1cc(=O)n(CC(=O)O)c(C)n1
InChIInChI=1S/C8H10N2O3S/c1-5-9-6(14-2)3-7(11)10(5)4-8(12)13/h3H,4H2,1-2H3,(H,12,13)
InChIKeyFQFPEAIYOIZBJD-UHFFFAOYSA-N
XLogP0.36
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-methylsulfanyl-6-oxopyrimidin-1-yl)acetic acid?
The IUPAC name of 2-(2-methyl-4-methylsulfanyl-6-oxopyrimidin-1-yl)acetic acid (CID 57185797) is 2-(2-methyl-4-methylsulfanyl-6-oxopyrimidin-1-yl)acetic acid.
What is the SMILES notation for 2-(2-methyl-4-methylsulfanyl-6-oxopyrimidin-1-yl)acetic acid?
The canonical SMILES for 2-(2-methyl-4-methylsulfanyl-6-oxopyrimidin-1-yl)acetic acid is CSc1cc(=O)n(CC(=O)O)c(C)n1.
What is the InChIKey of 2-(2-methyl-4-methylsulfanyl-6-oxopyrimidin-1-yl)acetic acid?
The InChIKey is FQFPEAIYOIZBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S/c1-5-9-6(14-2)3-7(11)10(5)4-8(12)13/h3H,4H2,1-2H3,(H,12,13).
What are the key properties of 2-(2-methyl-4-methylsulfanyl-6-oxopyrimidin-1-yl)acetic acid?
2-(2-methyl-4-methylsulfanyl-6-oxopyrimidin-1-yl)acetic acid has a molecular weight of 214.25 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-methylsulfanyl-6-oxopyrimidin-1-yl)acetic acid is sourced from PubChem (CID 57185797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).