5-methyl-2,4-dioxopyrimidine-1-carboxylic acid

C6H6N2O4 — CID 90017392

IUPAC5-methyl-2,4-dioxopyrimidine-1-carboxylic acid
SMILESCc1cn(C(=O)O)c(=O)[nH]c1=O
InChIInChI=1S/C6H6N2O4/c1-3-2-8(6(11)12)5(10)7-4(3)9/h2H,1H3,(H,11,12)(H,7,9,10)
InChIKeyNUCPXLVIQKEBKD-UHFFFAOYSA-N
MW170.12 g/mol
LogP-0.63
Rot. Bonds

About 5-methyl-2,4-dioxopyrimidine-1-carboxylic acid

5-methyl-2,4-dioxopyrimidine-1-carboxylic acid (PubChem CID 90017392) has the molecular formula C6H6N2O4 and a molecular weight of 170.12 g/mol. Its IUPAC name is 5-methyl-2,4-dioxopyrimidine-1-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2,4-dioxopyrimidine-1-carboxylic acid
PubChem CID90017392
Molecular FormulaC6H6N2O4
Molecular Weight170.12 g/mol
Exact Mass170.03
IUPAC Name5-methyl-2,4-dioxopyrimidine-1-carboxylic acid
SMILESCc1cn(C(=O)O)c(=O)[nH]c1=O
InChIInChI=1S/C6H6N2O4/c1-3-2-8(6(11)12)5(10)7-4(3)9/h2H,1H3,(H,11,12)(H,7,9,10)
InChIKeyNUCPXLVIQKEBKD-UHFFFAOYSA-N
XLogP-0.63
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.12
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,4-dioxopyrimidine-1-carboxylic acid?
The IUPAC name of 5-methyl-2,4-dioxopyrimidine-1-carboxylic acid (CID 90017392) is 5-methyl-2,4-dioxopyrimidine-1-carboxylic acid.
What is the SMILES notation for 5-methyl-2,4-dioxopyrimidine-1-carboxylic acid?
The canonical SMILES for 5-methyl-2,4-dioxopyrimidine-1-carboxylic acid is Cc1cn(C(=O)O)c(=O)[nH]c1=O.
What is the InChIKey of 5-methyl-2,4-dioxopyrimidine-1-carboxylic acid?
The InChIKey is NUCPXLVIQKEBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O4/c1-3-2-8(6(11)12)5(10)7-4(3)9/h2H,1H3,(H,11,12)(H,7,9,10).
What are the key properties of 5-methyl-2,4-dioxopyrimidine-1-carboxylic acid?
5-methyl-2,4-dioxopyrimidine-1-carboxylic acid has a molecular weight of 170.12 g/mol, XLogP of -0.63, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,4-dioxopyrimidine-1-carboxylic acid is sourced from PubChem (CID 90017392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).