4-[(4-methyl-2,3-dioxopyrazin-1-yl)methyl]pyrimidine-5-carboxylic acid

C11H10N4O4 — CID 102973959

IUPAC4-[(4-methyl-2,3-dioxopyrazin-1-yl)methyl]pyrimidine-5-carboxylic acid
SMILESCn1ccn(Cc2ncncc2C(=O)O)c(=O)c1=O
InChIInChI=1S/C11H10N4O4/c1-14-2-3-15(10(17)9(14)16)5-8-7(11(18)19)4-12-6-13-8/h2-4,6H,5H2,1H3,(H,18,19)
InChIKeySHJALBGTZFPJLM-UHFFFAOYSA-N
MW262.23 g/mol
LogP-0.92
Rot. Bonds3

About 4-[(4-methyl-2,3-dioxopyrazin-1-yl)methyl]pyrimidine-5-carboxylic acid

4-[(4-methyl-2,3-dioxopyrazin-1-yl)methyl]pyrimidine-5-carboxylic acid (PubChem CID 102973959) has the molecular formula C11H10N4O4 and a molecular weight of 262.23 g/mol. Its IUPAC name is 4-[(4-methyl-2,3-dioxopyrazin-1-yl)methyl]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-[(4-methyl-2,3-dioxopyrazin-1-yl)methyl]pyrimidine-5-carboxylic acid
PubChem CID102973959
Molecular FormulaC11H10N4O4
Molecular Weight262.23 g/mol
Exact Mass262.07
IUPAC Name4-[(4-methyl-2,3-dioxopyrazin-1-yl)methyl]pyrimidine-5-carboxylic acid
SMILESCn1ccn(Cc2ncncc2C(=O)O)c(=O)c1=O
InChIInChI=1S/C11H10N4O4/c1-14-2-3-15(10(17)9(14)16)5-8-7(11(18)19)4-12-6-13-8/h2-4,6H,5H2,1H3,(H,18,19)
InChIKeySHJALBGTZFPJLM-UHFFFAOYSA-N
XLogP-0.92
TPSA107.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 5-0.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

4-[(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]pyrimidine-5-carboxylic acid
CID 102974051
4-[(5-chloro-2-oxopyrimidin-1-yl)methyl]pyrimidine-5-carboxylic acid
CID 102974030
4-[(3-bromo-5-nitro-2-oxo-1-pyridinyl)methyl]pyrimidine-5-carboxylic acid
CID 102974045
4-(methoxymethyl)pyrimidine-5-carboxylic acid
CID 90787660
4-[(6-aminopurin-9-yl)methyl]pyrimidine-5-carboxylic acid
CID 102973944
4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]pyrimidine-5-carboxylic acid
CID 102974511
4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]pyrimidine-5-carboxylic acid
CID 102973880
4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrimidine-5-carboxylic acid
CID 102974503
4-[(4-tert-butylpiperidin-1-yl)methyl]pyrimidine-5-carboxylic acid
CID 102974335
4-[(4-iodopyrazol-1-yl)methyl]pyrimidine-5-carboxylic acid
CID 102973992
4-[(4-methylazepan-1-yl)methyl]pyrimidine-5-carboxylic acid
CID 102974386
4-[(2-ethoxy-2-oxoethyl)sulfanylmethyl]pyrimidine-5-carboxylic acid
CID 102973769

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-2,3-dioxopyrazin-1-yl)methyl]pyrimidine-5-carboxylic acid?
The IUPAC name of 4-[(4-methyl-2,3-dioxopyrazin-1-yl)methyl]pyrimidine-5-carboxylic acid (CID 102973959) is 4-[(4-methyl-2,3-dioxopyrazin-1-yl)methyl]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-[(4-methyl-2,3-dioxopyrazin-1-yl)methyl]pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-[(4-methyl-2,3-dioxopyrazin-1-yl)methyl]pyrimidine-5-carboxylic acid is Cn1ccn(Cc2ncncc2C(=O)O)c(=O)c1=O.
What is the InChIKey of 4-[(4-methyl-2,3-dioxopyrazin-1-yl)methyl]pyrimidine-5-carboxylic acid?
The InChIKey is SHJALBGTZFPJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O4/c1-14-2-3-15(10(17)9(14)16)5-8-7(11(18)19)4-12-6-13-8/h2-4,6H,5H2,1H3,(H,18,19).
What are the key properties of 4-[(4-methyl-2,3-dioxopyrazin-1-yl)methyl]pyrimidine-5-carboxylic acid?
4-[(4-methyl-2,3-dioxopyrazin-1-yl)methyl]pyrimidine-5-carboxylic acid has a molecular weight of 262.23 g/mol, XLogP of -0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-2,3-dioxopyrazin-1-yl)methyl]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 102973959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).