6-cyclohexylpyrimidine-4-carboxylic acid

C11H14N2O2 — CID 83820048

IUPAC6-cyclohexylpyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(C2CCCCC2)ncn1
InChIInChI=1S/C11H14N2O2/c14-11(15)10-6-9(12-7-13-10)8-4-2-1-3-5-8/h6-8H,1-5H2,(H,14,15)
InChIKeyUUVJOSHYDYBEJL-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.22
Rot. Bonds2

About 6-cyclohexylpyrimidine-4-carboxylic acid

6-cyclohexylpyrimidine-4-carboxylic acid (PubChem CID 83820048) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 6-cyclohexylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-cyclohexylpyrimidine-4-carboxylic acid
PubChem CID83820048
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name6-cyclohexylpyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(C2CCCCC2)ncn1
InChIInChI=1S/C11H14N2O2/c14-11(15)10-6-9(12-7-13-10)8-4-2-1-3-5-8/h6-8H,1-5H2,(H,14,15)
InChIKeyUUVJOSHYDYBEJL-UHFFFAOYSA-N
XLogP2.22
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-cyclohexylpyrimidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexylpyrimidine-4-carboxylic acid?
The IUPAC name of 6-cyclohexylpyrimidine-4-carboxylic acid (CID 83820048) is 6-cyclohexylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-cyclohexylpyrimidine-4-carboxylic acid?
The canonical SMILES for 6-cyclohexylpyrimidine-4-carboxylic acid is O=C(O)c1cc(C2CCCCC2)ncn1.
What is the InChIKey of 6-cyclohexylpyrimidine-4-carboxylic acid?
The InChIKey is UUVJOSHYDYBEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c14-11(15)10-6-9(12-7-13-10)8-4-2-1-3-5-8/h6-8H,1-5H2,(H,14,15).
What are the key properties of 6-cyclohexylpyrimidine-4-carboxylic acid?
6-cyclohexylpyrimidine-4-carboxylic acid has a molecular weight of 206.24 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 83820048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).