4-cyclopropyl-2-(4-ethylcyclohexyl)pyrimidine-5-carboxylic acid

C16H22N2O2 — CID 65390332

IUPAC4-cyclopropyl-2-(4-ethylcyclohexyl)pyrimidine-5-carboxylic acid
SMILESCCC1CCC(c2ncc(C(=O)O)c(C3CC3)n2)CC1
InChIInChI=1S/C16H22N2O2/c1-2-10-3-5-12(6-4-10)15-17-9-13(16(19)20)14(18-15)11-7-8-11/h9-12H,2-8H2,1H3,(H,19,20)
InChIKeyUILVYPIPQAMLMT-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.74
Rot. Bonds4

About 4-cyclopropyl-2-(4-ethylcyclohexyl)pyrimidine-5-carboxylic acid

4-cyclopropyl-2-(4-ethylcyclohexyl)pyrimidine-5-carboxylic acid (PubChem CID 65390332) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 4-cyclopropyl-2-(4-ethylcyclohexyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-cyclopropyl-2-(4-ethylcyclohexyl)pyrimidine-5-carboxylic acid
PubChem CID65390332
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name4-cyclopropyl-2-(4-ethylcyclohexyl)pyrimidine-5-carboxylic acid
SMILESCCC1CCC(c2ncc(C(=O)O)c(C3CC3)n2)CC1
InChIInChI=1S/C16H22N2O2/c1-2-10-3-5-12(6-4-10)15-17-9-13(16(19)20)14(18-15)11-7-8-11/h9-12H,2-8H2,1H3,(H,19,20)
InChIKeyUILVYPIPQAMLMT-UHFFFAOYSA-N
XLogP3.74
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(4-ethylcyclohexyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-cyclopropyl-2-(4-ethylcyclohexyl)pyrimidine-5-carboxylic acid (CID 65390332) is 4-cyclopropyl-2-(4-ethylcyclohexyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-cyclopropyl-2-(4-ethylcyclohexyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-cyclopropyl-2-(4-ethylcyclohexyl)pyrimidine-5-carboxylic acid is CCC1CCC(c2ncc(C(=O)O)c(C3CC3)n2)CC1.
What is the InChIKey of 4-cyclopropyl-2-(4-ethylcyclohexyl)pyrimidine-5-carboxylic acid?
The InChIKey is UILVYPIPQAMLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-2-10-3-5-12(6-4-10)15-17-9-13(16(19)20)14(18-15)11-7-8-11/h9-12H,2-8H2,1H3,(H,19,20).
What are the key properties of 4-cyclopropyl-2-(4-ethylcyclohexyl)pyrimidine-5-carboxylic acid?
4-cyclopropyl-2-(4-ethylcyclohexyl)pyrimidine-5-carboxylic acid has a molecular weight of 274.36 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(4-ethylcyclohexyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 65390332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).