6-hydroxy-N-(4-methylsulfanylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

C12H11N3O4S — CID 123458521

IUPAC6-hydroxy-N-(4-methylsulfanylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCSc1ccc(NC(=O)c2c(O)[nH]c(=O)[nH]c2=O)cc1
InChIInChI=1S/C12H11N3O4S/c1-20-7-4-2-6(3-5-7)13-9(16)8-10(17)14-12(19)15-11(8)18/h2-5H,1H3,(H,13,16)(H3,14,15,17,18,19)
InChIKeyMHOBOCJFZDGTIC-UHFFFAOYSA-N
MW293.30 g/mol
LogP0.74
Rot. Bonds3

About 6-hydroxy-N-(4-methylsulfanylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

6-hydroxy-N-(4-methylsulfanylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 123458521) has the molecular formula C12H11N3O4S and a molecular weight of 293.30 g/mol. Its IUPAC name is 6-hydroxy-N-(4-methylsulfanylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name6-hydroxy-N-(4-methylsulfanylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID123458521
Molecular FormulaC12H11N3O4S
Molecular Weight293.30 g/mol
Exact Mass293.05
IUPAC Name6-hydroxy-N-(4-methylsulfanylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCSc1ccc(NC(=O)c2c(O)[nH]c(=O)[nH]c2=O)cc1
InChIInChI=1S/C12H11N3O4S/c1-20-7-4-2-6(3-5-7)13-9(16)8-10(17)14-12(19)15-11(8)18/h2-5H,1H3,(H,13,16)(H3,14,15,17,18,19)
InChIKeyMHOBOCJFZDGTIC-UHFFFAOYSA-N
XLogP0.74
TPSA115.05 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 50.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-N-(4-methylsulfanylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 6-hydroxy-N-(4-methylsulfanylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 123458521) is 6-hydroxy-N-(4-methylsulfanylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 6-hydroxy-N-(4-methylsulfanylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 6-hydroxy-N-(4-methylsulfanylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is CSc1ccc(NC(=O)c2c(O)[nH]c(=O)[nH]c2=O)cc1.
What is the InChIKey of 6-hydroxy-N-(4-methylsulfanylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is MHOBOCJFZDGTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4S/c1-20-7-4-2-6(3-5-7)13-9(16)8-10(17)14-12(19)15-11(8)18/h2-5H,1H3,(H,13,16)(H3,14,15,17,18,19).
What are the key properties of 6-hydroxy-N-(4-methylsulfanylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
6-hydroxy-N-(4-methylsulfanylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 293.30 g/mol, XLogP of 0.74, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-N-(4-methylsulfanylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 123458521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).