2,6-diethylpyrimidine-4-carboxylic acid

C9H12N2O2 — CID 83816909

IUPAC2,6-diethylpyrimidine-4-carboxylic acid
SMILESCCc1cc(C(=O)O)nc(CC)n1
InChIInChI=1S/C9H12N2O2/c1-3-6-5-7(9(12)13)11-8(4-2)10-6/h5H,3-4H2,1-2H3,(H,12,13)
InChIKeySUSUCTFOCPXNSJ-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.30
Rot. Bonds3

About 2,6-diethylpyrimidine-4-carboxylic acid

2,6-diethylpyrimidine-4-carboxylic acid (PubChem CID 83816909) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2,6-diethylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2,6-diethylpyrimidine-4-carboxylic acid
PubChem CID83816909
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2,6-diethylpyrimidine-4-carboxylic acid
SMILESCCc1cc(C(=O)O)nc(CC)n1
InChIInChI=1S/C9H12N2O2/c1-3-6-5-7(9(12)13)11-8(4-2)10-6/h5H,3-4H2,1-2H3,(H,12,13)
InChIKeySUSUCTFOCPXNSJ-UHFFFAOYSA-N
XLogP1.30
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-diethylpyrimidine-4-carboxylic acid?
The IUPAC name of 2,6-diethylpyrimidine-4-carboxylic acid (CID 83816909) is 2,6-diethylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 2,6-diethylpyrimidine-4-carboxylic acid?
The canonical SMILES for 2,6-diethylpyrimidine-4-carboxylic acid is CCc1cc(C(=O)O)nc(CC)n1.
What is the InChIKey of 2,6-diethylpyrimidine-4-carboxylic acid?
The InChIKey is SUSUCTFOCPXNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-3-6-5-7(9(12)13)11-8(4-2)10-6/h5H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 2,6-diethylpyrimidine-4-carboxylic acid?
2,6-diethylpyrimidine-4-carboxylic acid has a molecular weight of 180.21 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 83816909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).