3-ethyl-2,4-dioxo-1H-pyrimidine-5-carboxylic acid

C7H8N2O4 — CID 28690740

IUPAC3-ethyl-2,4-dioxo-1H-pyrimidine-5-carboxylic acid
SMILESCCn1c(=O)[nH]cc(C(=O)O)c1=O
InChIInChI=1S/C7H8N2O4/c1-2-9-5(10)4(6(11)12)3-8-7(9)13/h3H,2H2,1H3,(H,8,13)(H,11,12)
InChIKeyZRRBELQVSBPWLH-UHFFFAOYSA-N
MW184.15 g/mol
LogP-0.75
Rot. Bonds2

About 3-ethyl-2,4-dioxo-1H-pyrimidine-5-carboxylic acid

3-ethyl-2,4-dioxo-1H-pyrimidine-5-carboxylic acid (PubChem CID 28690740) has the molecular formula C7H8N2O4 and a molecular weight of 184.15 g/mol. Its IUPAC name is 3-ethyl-2,4-dioxo-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-2,4-dioxo-1H-pyrimidine-5-carboxylic acid
PubChem CID28690740
Molecular FormulaC7H8N2O4
Molecular Weight184.15 g/mol
Exact Mass184.05
IUPAC Name3-ethyl-2,4-dioxo-1H-pyrimidine-5-carboxylic acid
SMILESCCn1c(=O)[nH]cc(C(=O)O)c1=O
InChIInChI=1S/C7H8N2O4/c1-2-9-5(10)4(6(11)12)3-8-7(9)13/h3H,2H2,1H3,(H,8,13)(H,11,12)
InChIKeyZRRBELQVSBPWLH-UHFFFAOYSA-N
XLogP-0.75
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
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
1,3-Dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid
CID 13052842
1-Octyl-2,4-dioxopyrimidine-5-carboxylic acid
CID 20540629
Uracil-5-carboxylate
CID 6971263
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
3-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-3-oxopropanoic acid
CID 59646354
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

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,4-dioxo-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 3-ethyl-2,4-dioxo-1H-pyrimidine-5-carboxylic acid (CID 28690740) is 3-ethyl-2,4-dioxo-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 3-ethyl-2,4-dioxo-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 3-ethyl-2,4-dioxo-1H-pyrimidine-5-carboxylic acid is CCn1c(=O)[nH]cc(C(=O)O)c1=O.
What is the InChIKey of 3-ethyl-2,4-dioxo-1H-pyrimidine-5-carboxylic acid?
The InChIKey is ZRRBELQVSBPWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4/c1-2-9-5(10)4(6(11)12)3-8-7(9)13/h3H,2H2,1H3,(H,8,13)(H,11,12).
What are the key properties of 3-ethyl-2,4-dioxo-1H-pyrimidine-5-carboxylic acid?
3-ethyl-2,4-dioxo-1H-pyrimidine-5-carboxylic acid has a molecular weight of 184.15 g/mol, XLogP of -0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,4-dioxo-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 28690740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).