2-(1-ethoxypropyl)-6-methylpyrimidine-4-carboxylic acid

C11H16N2O3 — CID 116731360

IUPAC2-(1-ethoxypropyl)-6-methylpyrimidine-4-carboxylic acid
SMILESCCOC(CC)c1nc(C)cc(C(=O)O)n1
InChIInChI=1S/C11H16N2O3/c1-4-9(16-5-2)10-12-7(3)6-8(13-10)11(14)15/h6,9H,4-5H2,1-3H3,(H,14,15)
InChIKeyBAUXXGNKBBYOAT-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.97
Rot. Bonds5

About 2-(1-ethoxypropyl)-6-methylpyrimidine-4-carboxylic acid

2-(1-ethoxypropyl)-6-methylpyrimidine-4-carboxylic acid (PubChem CID 116731360) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(1-ethoxypropyl)-6-methylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(1-ethoxypropyl)-6-methylpyrimidine-4-carboxylic acid
PubChem CID116731360
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-(1-ethoxypropyl)-6-methylpyrimidine-4-carboxylic acid
SMILESCCOC(CC)c1nc(C)cc(C(=O)O)n1
InChIInChI=1S/C11H16N2O3/c1-4-9(16-5-2)10-12-7(3)6-8(13-10)11(14)15/h6,9H,4-5H2,1-3H3,(H,14,15)
InChIKeyBAUXXGNKBBYOAT-UHFFFAOYSA-N
XLogP1.97
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxypropyl)-6-methylpyrimidine-4-carboxylic acid?
The IUPAC name of 2-(1-ethoxypropyl)-6-methylpyrimidine-4-carboxylic acid (CID 116731360) is 2-(1-ethoxypropyl)-6-methylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(1-ethoxypropyl)-6-methylpyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(1-ethoxypropyl)-6-methylpyrimidine-4-carboxylic acid is CCOC(CC)c1nc(C)cc(C(=O)O)n1.
What is the InChIKey of 2-(1-ethoxypropyl)-6-methylpyrimidine-4-carboxylic acid?
The InChIKey is BAUXXGNKBBYOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-4-9(16-5-2)10-12-7(3)6-8(13-10)11(14)15/h6,9H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 2-(1-ethoxypropyl)-6-methylpyrimidine-4-carboxylic acid?
2-(1-ethoxypropyl)-6-methylpyrimidine-4-carboxylic acid has a molecular weight of 224.26 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxypropyl)-6-methylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 116731360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).