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

C8H10N2O4 — CID 21406695

IUPAC3-ethyl-1-methyl-2,4-dioxopyrimidine-5-carboxylic acid
SMILESCCn1c(=O)c(C(=O)O)cn(C)c1=O
InChIInChI=1S/C8H10N2O4/c1-3-10-6(11)5(7(12)13)4-9(2)8(10)14/h4H,3H2,1-2H3,(H,12,13)
InChIKeyFFBARFRROKIYBZ-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.73
Rot. Bonds2

About 3-ethyl-1-methyl-2,4-dioxopyrimidine-5-carboxylic acid

3-ethyl-1-methyl-2,4-dioxopyrimidine-5-carboxylic acid (PubChem CID 21406695) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 3-ethyl-1-methyl-2,4-dioxopyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-methyl-2,4-dioxopyrimidine-5-carboxylic acid
PubChem CID21406695
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name3-ethyl-1-methyl-2,4-dioxopyrimidine-5-carboxylic acid
SMILESCCn1c(=O)c(C(=O)O)cn(C)c1=O
InChIInChI=1S/C8H10N2O4/c1-3-10-6(11)5(7(12)13)4-9(2)8(10)14/h4H,3H2,1-2H3,(H,12,13)
InChIKeyFFBARFRROKIYBZ-UHFFFAOYSA-N
XLogP-0.73
TPSA81.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
1,3-Dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid
CID 13052842
1-Octyl-2,4-dioxopyrimidine-5-carboxylic acid
CID 20540629
3-(2-Carboxyethyl)thymine
CID 173282
3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoic acid
CID 1519563
1-Cyclopropyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid
CID 55255033
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
bis(2,4-dioxo-1H-pyrimidine-5-carboxylic acid);dihydrate
CID 139066759

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-2,4-dioxopyrimidine-5-carboxylic acid?
The IUPAC name of 3-ethyl-1-methyl-2,4-dioxopyrimidine-5-carboxylic acid (CID 21406695) is 3-ethyl-1-methyl-2,4-dioxopyrimidine-5-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-methyl-2,4-dioxopyrimidine-5-carboxylic acid?
The canonical SMILES for 3-ethyl-1-methyl-2,4-dioxopyrimidine-5-carboxylic acid is CCn1c(=O)c(C(=O)O)cn(C)c1=O.
What is the InChIKey of 3-ethyl-1-methyl-2,4-dioxopyrimidine-5-carboxylic acid?
The InChIKey is FFBARFRROKIYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-3-10-6(11)5(7(12)13)4-9(2)8(10)14/h4H,3H2,1-2H3,(H,12,13).
What are the key properties of 3-ethyl-1-methyl-2,4-dioxopyrimidine-5-carboxylic acid?
3-ethyl-1-methyl-2,4-dioxopyrimidine-5-carboxylic acid has a molecular weight of 198.18 g/mol, XLogP of -0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-2,4-dioxopyrimidine-5-carboxylic acid is sourced from PubChem (CID 21406695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).