2-ethylpyrimidine-5-carboxylic acid

C7H8N2O2 — CID 19979063

IUPAC2-ethylpyrimidine-5-carboxylic acid
SMILESCCc1ncc(C(=O)O)cn1
InChIInChI=1S/C7H8N2O2/c1-2-6-8-3-5(4-9-6)7(10)11/h3-4H,2H2,1H3,(H,10,11)
InChIKeyKWYVXQIUKALVIQ-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.74
Rot. Bonds2

About 2-ethylpyrimidine-5-carboxylic acid

2-ethylpyrimidine-5-carboxylic acid (PubChem CID 19979063) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 2-ethylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-ethylpyrimidine-5-carboxylic acid
PubChem CID19979063
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name2-ethylpyrimidine-5-carboxylic acid
SMILESCCc1ncc(C(=O)O)cn1
InChIInChI=1S/C7H8N2O2/c1-2-6-8-3-5(4-9-6)7(10)11/h3-4H,2H2,1H3,(H,10,11)
InChIKeyKWYVXQIUKALVIQ-UHFFFAOYSA-N
XLogP0.74
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-ethylpyrimidine-5-carboxylic acid (CID 19979063) is 2-ethylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-ethylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-ethylpyrimidine-5-carboxylic acid is CCc1ncc(C(=O)O)cn1.
What is the InChIKey of 2-ethylpyrimidine-5-carboxylic acid?
The InChIKey is KWYVXQIUKALVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c1-2-6-8-3-5(4-9-6)7(10)11/h3-4H,2H2,1H3,(H,10,11).
What are the key properties of 2-ethylpyrimidine-5-carboxylic acid?
2-ethylpyrimidine-5-carboxylic acid has a molecular weight of 152.15 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 19979063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).