4-chloro-6-(4-methylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidine

C12H14ClF3N2O — CID 106766598

IUPAC4-chloro-6-(4-methylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidine
SMILESCC1CCC(Oc2cc(Cl)nc(C(F)(F)F)n2)CC1
InChIInChI=1S/C12H14ClF3N2O/c1-7-2-4-8(5-3-7)19-10-6-9(13)17-11(18-10)12(14,15)16/h6-8H,2-5H2,1H3
InChIKeyJIESFBYTYRVYNJ-UHFFFAOYSA-N
MW294.70 g/mol
LogP4.11
Rot. Bonds2

About 4-chloro-6-(4-methylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidine

4-chloro-6-(4-methylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidine (PubChem CID 106766598) has the molecular formula C12H14ClF3N2O and a molecular weight of 294.70 g/mol. Its IUPAC name is 4-chloro-6-(4-methylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(4-methylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidine
PubChem CID106766598
Molecular FormulaC12H14ClF3N2O
Molecular Weight294.70 g/mol
Exact Mass294.07
IUPAC Name4-chloro-6-(4-methylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidine
SMILESCC1CCC(Oc2cc(Cl)nc(C(F)(F)F)n2)CC1
InChIInChI=1S/C12H14ClF3N2O/c1-7-2-4-8(5-3-7)19-10-6-9(13)17-11(18-10)12(14,15)16/h6-8H,2-5H2,1H3
InChIKeyJIESFBYTYRVYNJ-UHFFFAOYSA-N
XLogP4.11
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.70
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-6-(4-methylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidine 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 4-chloro-6-(4-methylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-6-(4-methylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidine (CID 106766598) is 4-chloro-6-(4-methylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-(4-methylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-(4-methylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidine is CC1CCC(Oc2cc(Cl)nc(C(F)(F)F)n2)CC1.
What is the InChIKey of 4-chloro-6-(4-methylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidine?
The InChIKey is JIESFBYTYRVYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N2O/c1-7-2-4-8(5-3-7)19-10-6-9(13)17-11(18-10)12(14,15)16/h6-8H,2-5H2,1H3.
What are the key properties of 4-chloro-6-(4-methylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidine?
4-chloro-6-(4-methylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidine has a molecular weight of 294.70 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-methylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 106766598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).