2-butyl-4-ethylpyrimidine-5-carboxylic acid

C11H16N2O2 — CID 79412123

IUPAC2-butyl-4-ethylpyrimidine-5-carboxylic acid
SMILESCCCCc1ncc(C(=O)O)c(CC)n1
InChIInChI=1S/C11H16N2O2/c1-3-5-6-10-12-7-8(11(14)15)9(4-2)13-10/h7H,3-6H2,1-2H3,(H,14,15)
InChIKeyUOZSEEZKDUQKAH-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.08
Rot. Bonds5

About 2-butyl-4-ethylpyrimidine-5-carboxylic acid

2-butyl-4-ethylpyrimidine-5-carboxylic acid (PubChem CID 79412123) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-butyl-4-ethylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-butyl-4-ethylpyrimidine-5-carboxylic acid
PubChem CID79412123
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-butyl-4-ethylpyrimidine-5-carboxylic acid
SMILESCCCCc1ncc(C(=O)O)c(CC)n1
InChIInChI=1S/C11H16N2O2/c1-3-5-6-10-12-7-8(11(14)15)9(4-2)13-10/h7H,3-6H2,1-2H3,(H,14,15)
InChIKeyUOZSEEZKDUQKAH-UHFFFAOYSA-N
XLogP2.08
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-ethylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-butyl-4-ethylpyrimidine-5-carboxylic acid (CID 79412123) is 2-butyl-4-ethylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-butyl-4-ethylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-butyl-4-ethylpyrimidine-5-carboxylic acid is CCCCc1ncc(C(=O)O)c(CC)n1.
What is the InChIKey of 2-butyl-4-ethylpyrimidine-5-carboxylic acid?
The InChIKey is UOZSEEZKDUQKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-3-5-6-10-12-7-8(11(14)15)9(4-2)13-10/h7H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 2-butyl-4-ethylpyrimidine-5-carboxylic acid?
2-butyl-4-ethylpyrimidine-5-carboxylic acid has a molecular weight of 208.26 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-ethylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 79412123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).