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

C11H12N4O5S — CID 43352676

IUPAC6-methyl-2-oxo-4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-1H-pyrimidine-5-carboxylic acid
SMILESCc1[nH]c(=O)nc(SCC(=O)N2CCNC2=O)c1C(=O)O
InChIInChI=1S/C11H12N4O5S/c1-5-7(9(17)18)8(14-10(19)13-5)21-4-6(16)15-3-2-12-11(15)20/h2-4H2,1H3,(H,12,20)(H,17,18)(H,13,14,19)
InChIKeyNGNLFXCXZLOLMP-UHFFFAOYSA-N
MW312.31 g/mol
LogP-0.58
Rot. Bonds4

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

6-methyl-2-oxo-4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-1H-pyrimidine-5-carboxylic acid (PubChem CID 43352676) has the molecular formula C11H12N4O5S and a molecular weight of 312.31 g/mol. Its IUPAC name is 6-methyl-2-oxo-4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-oxo-4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-1H-pyrimidine-5-carboxylic acid
PubChem CID43352676
Molecular FormulaC11H12N4O5S
Molecular Weight312.31 g/mol
Exact Mass312.05
IUPAC Name6-methyl-2-oxo-4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-1H-pyrimidine-5-carboxylic acid
SMILESCc1[nH]c(=O)nc(SCC(=O)N2CCNC2=O)c1C(=O)O
InChIInChI=1S/C11H12N4O5S/c1-5-7(9(17)18)8(14-10(19)13-5)21-4-6(16)15-3-2-12-11(15)20/h2-4H2,1H3,(H,12,20)(H,17,18)(H,13,14,19)
InChIKeyNGNLFXCXZLOLMP-UHFFFAOYSA-N
XLogP-0.58
TPSA132.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.31
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxo-4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 6-methyl-2-oxo-4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-1H-pyrimidine-5-carboxylic acid (CID 43352676) is 6-methyl-2-oxo-4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 6-methyl-2-oxo-4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 6-methyl-2-oxo-4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-1H-pyrimidine-5-carboxylic acid is Cc1[nH]c(=O)nc(SCC(=O)N2CCNC2=O)c1C(=O)O.
What is the InChIKey of 6-methyl-2-oxo-4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-1H-pyrimidine-5-carboxylic acid?
The InChIKey is NGNLFXCXZLOLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O5S/c1-5-7(9(17)18)8(14-10(19)13-5)21-4-6(16)15-3-2-12-11(15)20/h2-4H2,1H3,(H,12,20)(H,17,18)(H,13,14,19).
What are the key properties of 6-methyl-2-oxo-4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-1H-pyrimidine-5-carboxylic acid?
6-methyl-2-oxo-4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-1H-pyrimidine-5-carboxylic acid has a molecular weight of 312.31 g/mol, XLogP of -0.58, 4 rotatable bonds, 3 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-oxoimidazolidin-1-yl)ethyl]sulfanyl-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 43352676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).