2-(4-propan-2-ylcyclohexyl)pyrimidine-5-carboxylic acid

C14H20N2O2 — CID 65402805

IUPAC2-(4-propan-2-ylcyclohexyl)pyrimidine-5-carboxylic acid
SMILESCC(C)C1CCC(c2ncc(C(=O)O)cn2)CC1
InChIInChI=1S/C14H20N2O2/c1-9(2)10-3-5-11(6-4-10)13-15-7-12(8-16-13)14(17)18/h7-11H,3-6H2,1-2H3,(H,17,18)
InChIKeyRREFWAXZVQNTQC-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.10
Rot. Bonds3

About 2-(4-propan-2-ylcyclohexyl)pyrimidine-5-carboxylic acid

2-(4-propan-2-ylcyclohexyl)pyrimidine-5-carboxylic acid (PubChem CID 65402805) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(4-propan-2-ylcyclohexyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-propan-2-ylcyclohexyl)pyrimidine-5-carboxylic acid
PubChem CID65402805
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(4-propan-2-ylcyclohexyl)pyrimidine-5-carboxylic acid
SMILESCC(C)C1CCC(c2ncc(C(=O)O)cn2)CC1
InChIInChI=1S/C14H20N2O2/c1-9(2)10-3-5-11(6-4-10)13-15-7-12(8-16-13)14(17)18/h7-11H,3-6H2,1-2H3,(H,17,18)
InChIKeyRREFWAXZVQNTQC-UHFFFAOYSA-N
XLogP3.10
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-propan-2-ylcyclohexyl)pyrimidine-5-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 2-(4-propan-2-ylcyclohexyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(4-propan-2-ylcyclohexyl)pyrimidine-5-carboxylic acid (CID 65402805) is 2-(4-propan-2-ylcyclohexyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(4-propan-2-ylcyclohexyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(4-propan-2-ylcyclohexyl)pyrimidine-5-carboxylic acid is CC(C)C1CCC(c2ncc(C(=O)O)cn2)CC1.
What is the InChIKey of 2-(4-propan-2-ylcyclohexyl)pyrimidine-5-carboxylic acid?
The InChIKey is RREFWAXZVQNTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9(2)10-3-5-11(6-4-10)13-15-7-12(8-16-13)14(17)18/h7-11H,3-6H2,1-2H3,(H,17,18).
What are the key properties of 2-(4-propan-2-ylcyclohexyl)pyrimidine-5-carboxylic acid?
2-(4-propan-2-ylcyclohexyl)pyrimidine-5-carboxylic acid has a molecular weight of 248.33 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylcyclohexyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 65402805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).