2,4-dioxo-1H-pyrimidine-5-carboxylic acid;methylsulfinylmethane

C7H10N2O5S — CID 139062268

IUPAC2,4-dioxo-1H-pyrimidine-5-carboxylic acid;methylsulfinylmethane
SMILESCS(C)=O.O=C(O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C5H4N2O4.C2H6OS/c8-3-2(4(9)10)1-6-5(11)7-3;1-4(2)3/h1H,(H,9,10)(H2,6,7,8,11);1-2H3
InChIKeyYEKLFCYAMIIAAL-UHFFFAOYSA-N
MW234.23 g/mol
LogP-1.24
Rot. Bonds1

About 2,4-dioxo-1H-pyrimidine-5-carboxylic acid;methylsulfinylmethane

2,4-dioxo-1H-pyrimidine-5-carboxylic acid;methylsulfinylmethane (PubChem CID 139062268) has the molecular formula C7H10N2O5S and a molecular weight of 234.23 g/mol. Its IUPAC name is 2,4-dioxo-1H-pyrimidine-5-carboxylic acid;methylsulfinylmethane.

Molecular Properties

Compound Name2,4-dioxo-1H-pyrimidine-5-carboxylic acid;methylsulfinylmethane
PubChem CID139062268
Molecular FormulaC7H10N2O5S
Molecular Weight234.23 g/mol
Exact Mass234.03
IUPAC Name2,4-dioxo-1H-pyrimidine-5-carboxylic acid;methylsulfinylmethane
SMILESCS(C)=O.O=C(O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C5H4N2O4.C2H6OS/c8-3-2(4(9)10)1-6-5(11)7-3;1-4(2)3/h1H,(H,9,10)(H2,6,7,8,11);1-2H3
InChIKeyYEKLFCYAMIIAAL-UHFFFAOYSA-N
XLogP-1.24
TPSA120.09 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1,2,3,4-Tetrahydro-2,4-dioxo-5-pyrimidinecarboxylic acid
CID 90301
3-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid
CID 253771
1-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid
CID 19696230
2,4-Dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid--water (1/1)
CID 21116606
5-Carboxyuracil N,N-dimethylformamide monosolvate
CID 139062267
5-Carboxyuracil N,N-dimethylacetamide monosolvate
CID 139062269
4-Oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid dimethyl sulfoxide monosolvate
CID 139062271
bis(2,4-dioxo-1H-pyrimidine-5-carboxylic acid);dihydrate
CID 139066759
copper 2,4-dioxo-1H-pyrimidine-5-carboxylic acid
CID 54609567
1-Butyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid
CID 20540620
3-Ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid
CID 28690740
2,4-Dioxo-1-propan-2-ylpyrimidine-5-carboxylic acid
CID 55255034

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-1H-pyrimidine-5-carboxylic acid;methylsulfinylmethane?
The IUPAC name of 2,4-dioxo-1H-pyrimidine-5-carboxylic acid;methylsulfinylmethane (CID 139062268) is 2,4-dioxo-1H-pyrimidine-5-carboxylic acid;methylsulfinylmethane.
What is the SMILES notation for 2,4-dioxo-1H-pyrimidine-5-carboxylic acid;methylsulfinylmethane?
The canonical SMILES for 2,4-dioxo-1H-pyrimidine-5-carboxylic acid;methylsulfinylmethane is CS(C)=O.O=C(O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 2,4-dioxo-1H-pyrimidine-5-carboxylic acid;methylsulfinylmethane?
The InChIKey is YEKLFCYAMIIAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O4.C2H6OS/c8-3-2(4(9)10)1-6-5(11)7-3;1-4(2)3/h1H,(H,9,10)(H2,6,7,8,11);1-2H3.
What are the key properties of 2,4-dioxo-1H-pyrimidine-5-carboxylic acid;methylsulfinylmethane?
2,4-dioxo-1H-pyrimidine-5-carboxylic acid;methylsulfinylmethane has a molecular weight of 234.23 g/mol, XLogP of -1.24, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-1H-pyrimidine-5-carboxylic acid;methylsulfinylmethane is sourced from PubChem (CID 139062268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).