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

C7H8N2O3 — CID 21473456

IUPAC2-ethyl-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCCc1ncc(C(=O)O)c(=O)[nH]1
InChIInChI=1S/C7H8N2O3/c1-2-5-8-3-4(7(11)12)6(10)9-5/h3H,2H2,1H3,(H,11,12)(H,8,9,10)
InChIKeyTXNBXCNSEIEFPJ-UHFFFAOYSA-N
MW168.15 g/mol
LogP0.03
Rot. Bonds2

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

2-ethyl-6-oxo-1H-pyrimidine-5-carboxylic acid (PubChem CID 21473456) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 2-ethyl-6-oxo-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-6-oxo-1H-pyrimidine-5-carboxylic acid
PubChem CID21473456
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name2-ethyl-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCCc1ncc(C(=O)O)c(=O)[nH]1
InChIInChI=1S/C7H8N2O3/c1-2-5-8-3-4(7(11)12)6(10)9-5/h3H,2H2,1H3,(H,11,12)(H,8,9,10)
InChIKeyTXNBXCNSEIEFPJ-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 2-ethyl-6-oxo-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 2-ethyl-6-oxo-1H-pyrimidine-5-carboxylic acid (CID 21473456) is 2-ethyl-6-oxo-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-ethyl-6-oxo-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-ethyl-6-oxo-1H-pyrimidine-5-carboxylic acid is CCc1ncc(C(=O)O)c(=O)[nH]1.
What is the InChIKey of 2-ethyl-6-oxo-1H-pyrimidine-5-carboxylic acid?
The InChIKey is TXNBXCNSEIEFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-2-5-8-3-4(7(11)12)6(10)9-5/h3H,2H2,1H3,(H,11,12)(H,8,9,10).
What are the key properties of 2-ethyl-6-oxo-1H-pyrimidine-5-carboxylic acid?
2-ethyl-6-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 2-ethyl-6-oxo-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 21473456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).