2-ethyl-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid

C7H8N2O4 — CID 175919172

IUPAC2-ethyl-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
SMILESCCc1nc(C(=O)O)c(O)c(=O)[nH]1
InChIInChI=1S/C7H8N2O4/c1-2-3-8-4(7(12)13)5(10)6(11)9-3/h10H,2H2,1H3,(H,12,13)(H,8,9,11)
InChIKeyNGHQTTRFGGYWFY-UHFFFAOYSA-N
MW184.15 g/mol
LogP-0.26
Rot. Bonds2

About 2-ethyl-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid

2-ethyl-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid (PubChem CID 175919172) has the molecular formula C7H8N2O4 and a molecular weight of 184.15 g/mol. Its IUPAC name is 2-ethyl-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
PubChem CID175919172
Molecular FormulaC7H8N2O4
Molecular Weight184.15 g/mol
Exact Mass184.05
IUPAC Name2-ethyl-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
SMILESCCc1nc(C(=O)O)c(O)c(=O)[nH]1
InChIInChI=1S/C7H8N2O4/c1-2-3-8-4(7(12)13)5(10)6(11)9-3/h10H,2H2,1H3,(H,12,13)(H,8,9,11)
InChIKeyNGHQTTRFGGYWFY-UHFFFAOYSA-N
XLogP-0.26
TPSA103.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid?
The IUPAC name of 2-ethyl-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid (CID 175919172) is 2-ethyl-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-ethyl-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid is CCc1nc(C(=O)O)c(O)c(=O)[nH]1.
What is the InChIKey of 2-ethyl-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid?
The InChIKey is NGHQTTRFGGYWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4/c1-2-3-8-4(7(12)13)5(10)6(11)9-3/h10H,2H2,1H3,(H,12,13)(H,8,9,11).
What are the key properties of 2-ethyl-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid?
2-ethyl-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid has a molecular weight of 184.15 g/mol, XLogP of -0.26, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid is sourced from PubChem (CID 175919172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).