5-chloro-2-cyclohexylpyrimidine-4-carboxylic acid

C11H13ClN2O2 — CID 82168565

IUPAC5-chloro-2-cyclohexylpyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc(C2CCCCC2)ncc1Cl
InChIInChI=1S/C11H13ClN2O2/c12-8-6-13-10(14-9(8)11(15)16)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,15,16)
InChIKeyQRDMQHAHASCTLS-UHFFFAOYSA-N
MW240.69 g/mol
LogP2.88
Rot. Bonds2

About 5-chloro-2-cyclohexylpyrimidine-4-carboxylic acid

5-chloro-2-cyclohexylpyrimidine-4-carboxylic acid (PubChem CID 82168565) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 5-chloro-2-cyclohexylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-cyclohexylpyrimidine-4-carboxylic acid
PubChem CID82168565
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name5-chloro-2-cyclohexylpyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc(C2CCCCC2)ncc1Cl
InChIInChI=1S/C11H13ClN2O2/c12-8-6-13-10(14-9(8)11(15)16)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,15,16)
InChIKeyQRDMQHAHASCTLS-UHFFFAOYSA-N
XLogP2.88
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-2-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 5-chloro-2-cyclohexylpyrimidine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-cyclohexylpyrimidine-4-carboxylic acid (CID 82168565) is 5-chloro-2-cyclohexylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-cyclohexylpyrimidine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-cyclohexylpyrimidine-4-carboxylic acid is O=C(O)c1nc(C2CCCCC2)ncc1Cl.
What is the InChIKey of 5-chloro-2-cyclohexylpyrimidine-4-carboxylic acid?
The InChIKey is QRDMQHAHASCTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c12-8-6-13-10(14-9(8)11(15)16)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,15,16).
What are the key properties of 5-chloro-2-cyclohexylpyrimidine-4-carboxylic acid?
5-chloro-2-cyclohexylpyrimidine-4-carboxylic acid has a molecular weight of 240.69 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-cyclohexylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 82168565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).