2-ethoxy-6-ethylpyrimidine-4-carboxylic acid

C9H12N2O3 — CID 66933435

IUPAC2-ethoxy-6-ethylpyrimidine-4-carboxylic acid
SMILESCCOc1nc(CC)cc(C(=O)O)n1
InChIInChI=1S/C9H12N2O3/c1-3-6-5-7(8(12)13)11-9(10-6)14-4-2/h5H,3-4H2,1-2H3,(H,12,13)
InChIKeyFSRBCEXBSQYVPE-UHFFFAOYSA-N
MW196.21 g/mol
LogP1.14
Rot. Bonds4

About 2-ethoxy-6-ethylpyrimidine-4-carboxylic acid

2-ethoxy-6-ethylpyrimidine-4-carboxylic acid (PubChem CID 66933435) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-ethoxy-6-ethylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-ethoxy-6-ethylpyrimidine-4-carboxylic acid
PubChem CID66933435
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2-ethoxy-6-ethylpyrimidine-4-carboxylic acid
SMILESCCOc1nc(CC)cc(C(=O)O)n1
InChIInChI=1S/C9H12N2O3/c1-3-6-5-7(8(12)13)11-9(10-6)14-4-2/h5H,3-4H2,1-2H3,(H,12,13)
InChIKeyFSRBCEXBSQYVPE-UHFFFAOYSA-N
XLogP1.14
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-ethylpyrimidine-4-carboxylic acid?
The IUPAC name of 2-ethoxy-6-ethylpyrimidine-4-carboxylic acid (CID 66933435) is 2-ethoxy-6-ethylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-ethoxy-6-ethylpyrimidine-4-carboxylic acid?
The canonical SMILES for 2-ethoxy-6-ethylpyrimidine-4-carboxylic acid is CCOc1nc(CC)cc(C(=O)O)n1.
What is the InChIKey of 2-ethoxy-6-ethylpyrimidine-4-carboxylic acid?
The InChIKey is FSRBCEXBSQYVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-3-6-5-7(8(12)13)11-9(10-6)14-4-2/h5H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 2-ethoxy-6-ethylpyrimidine-4-carboxylic acid?
2-ethoxy-6-ethylpyrimidine-4-carboxylic acid has a molecular weight of 196.21 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-ethylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 66933435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).