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

C7H8N2O3 — CID 10749609

IUPAC6-ethyl-2-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCCc1[nH]c(=O)ncc1C(=O)O
InChIInChI=1S/C7H8N2O3/c1-2-5-4(6(10)11)3-8-7(12)9-5/h3H,2H2,1H3,(H,10,11)(H,8,9,12)
InChIKeyUOZIUEUNDSWOSY-UHFFFAOYSA-N
MW168.15 g/mol
LogP0.03
Rot. Bonds2

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

6-ethyl-2-oxo-1H-pyrimidine-5-carboxylic acid (PubChem CID 10749609) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 6-ethyl-2-oxo-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name6-ethyl-2-oxo-1H-pyrimidine-5-carboxylic acid
PubChem CID10749609
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name6-ethyl-2-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCCc1[nH]c(=O)ncc1C(=O)O
InChIInChI=1S/C7H8N2O3/c1-2-5-4(6(10)11)3-8-7(12)9-5/h3H,2H2,1H3,(H,10,11)(H,8,9,12)
InChIKeyUOZIUEUNDSWOSY-UHFFFAOYSA-N
XLogP0.03
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-oxo-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 6-ethyl-2-oxo-1H-pyrimidine-5-carboxylic acid (CID 10749609) is 6-ethyl-2-oxo-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 6-ethyl-2-oxo-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 6-ethyl-2-oxo-1H-pyrimidine-5-carboxylic acid is CCc1[nH]c(=O)ncc1C(=O)O.
What is the InChIKey of 6-ethyl-2-oxo-1H-pyrimidine-5-carboxylic acid?
The InChIKey is UOZIUEUNDSWOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-2-5-4(6(10)11)3-8-7(12)9-5/h3H,2H2,1H3,(H,10,11)(H,8,9,12).
What are the key properties of 6-ethyl-2-oxo-1H-pyrimidine-5-carboxylic acid?
6-ethyl-2-oxo-1H-pyrimidine-5-carboxylic acid has a molecular weight of 168.15 g/mol, XLogP of 0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-oxo-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 10749609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).