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

C8H10N2O4 — CID 125452059

IUPAC6-ethyl-1-methyl-2,4-dioxopyrimidine-5-carboxylic acid
SMILESCCc1c(C(=O)O)c(=O)[nH]c(=O)n1C
InChIInChI=1S/C8H10N2O4/c1-3-4-5(7(12)13)6(11)9-8(14)10(4)2/h3H2,1-2H3,(H,12,13)(H,9,11,14)
InChIKeyGZCOBHOHMQDNSA-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.67
Rot. Bonds2

About 6-ethyl-1-methyl-2,4-dioxopyrimidine-5-carboxylic acid

6-ethyl-1-methyl-2,4-dioxopyrimidine-5-carboxylic acid (PubChem CID 125452059) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 6-ethyl-1-methyl-2,4-dioxopyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name6-ethyl-1-methyl-2,4-dioxopyrimidine-5-carboxylic acid
PubChem CID125452059
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name6-ethyl-1-methyl-2,4-dioxopyrimidine-5-carboxylic acid
SMILESCCc1c(C(=O)O)c(=O)[nH]c(=O)n1C
InChIInChI=1S/C8H10N2O4/c1-3-4-5(7(12)13)6(11)9-8(14)10(4)2/h3H2,1-2H3,(H,12,13)(H,9,11,14)
InChIKeyGZCOBHOHMQDNSA-UHFFFAOYSA-N
XLogP-0.67
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methyl-2,4-dioxo-6-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 22610936
1,3-dimethyl-2,4,7-trioxo-8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid
CID 12267914
1-ethyl-2,4,7-trioxo-8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid
CID 16092075
1-ethyl-3-methyl-2,4,7-trioxo-8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid
CID 134997746
3-Methyl-2,4,7-trioxo-1,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
CID 134998104
1-methyl-2,4,7-trioxo-8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid
CID 134998317
1,3,4-Trimethyl-2,6-dioxopyrimidine-5-carboxylic acid
CID 15594829
3-Butyl-2,6-dioxopyrimidine-4,5-dicarboxylic acid
CID 56621282
2,6-Dioxo-3-propan-2-ylpyrimidine-4,5-dicarboxylic acid
CID 56623311
6-(2-methylpropyl)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid
CID 150802658
6-(1-aminoethyl)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid
CID 152163324
3-butyl-2,4-dioxo-1H-pyrimidine-5,6-dicarboxylic acid
CID 13051091

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-methyl-2,4-dioxopyrimidine-5-carboxylic acid?
The IUPAC name of 6-ethyl-1-methyl-2,4-dioxopyrimidine-5-carboxylic acid (CID 125452059) is 6-ethyl-1-methyl-2,4-dioxopyrimidine-5-carboxylic acid.
What is the SMILES notation for 6-ethyl-1-methyl-2,4-dioxopyrimidine-5-carboxylic acid?
The canonical SMILES for 6-ethyl-1-methyl-2,4-dioxopyrimidine-5-carboxylic acid is CCc1c(C(=O)O)c(=O)[nH]c(=O)n1C.
What is the InChIKey of 6-ethyl-1-methyl-2,4-dioxopyrimidine-5-carboxylic acid?
The InChIKey is GZCOBHOHMQDNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-3-4-5(7(12)13)6(11)9-8(14)10(4)2/h3H2,1-2H3,(H,12,13)(H,9,11,14).
What are the key properties of 6-ethyl-1-methyl-2,4-dioxopyrimidine-5-carboxylic acid?
6-ethyl-1-methyl-2,4-dioxopyrimidine-5-carboxylic acid has a molecular weight of 198.18 g/mol, XLogP of -0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-methyl-2,4-dioxopyrimidine-5-carboxylic acid is sourced from PubChem (CID 125452059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).