4-chloro-6-(3,5-dimethylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidine

C13H16ClF3N2O — CID 106766804

IUPAC4-chloro-6-(3,5-dimethylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidine
SMILESCC1CC(C)CC(Oc2cc(Cl)nc(C(F)(F)F)n2)C1
InChIInChI=1S/C13H16ClF3N2O/c1-7-3-8(2)5-9(4-7)20-11-6-10(14)18-12(19-11)13(15,16)17/h6-9H,3-5H2,1-2H3
InChIKeyZLBRQOLSRTWEGR-UHFFFAOYSA-N
MW308.73 g/mol
LogP4.35
Rot. Bonds2

About 4-chloro-6-(3,5-dimethylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidine

4-chloro-6-(3,5-dimethylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidine (PubChem CID 106766804) has the molecular formula C13H16ClF3N2O and a molecular weight of 308.73 g/mol. Its IUPAC name is 4-chloro-6-(3,5-dimethylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3,5-dimethylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidine
PubChem CID106766804
Molecular FormulaC13H16ClF3N2O
Molecular Weight308.73 g/mol
Exact Mass308.09
IUPAC Name4-chloro-6-(3,5-dimethylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidine
SMILESCC1CC(C)CC(Oc2cc(Cl)nc(C(F)(F)F)n2)C1
InChIInChI=1S/C13H16ClF3N2O/c1-7-3-8(2)5-9(4-7)20-11-6-10(14)18-12(19-11)13(15,16)17/h6-9H,3-5H2,1-2H3
InChIKeyZLBRQOLSRTWEGR-UHFFFAOYSA-N
XLogP4.35
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.73
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3,5-dimethylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-6-(3,5-dimethylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidine (CID 106766804) is 4-chloro-6-(3,5-dimethylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-(3,5-dimethylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-(3,5-dimethylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidine is CC1CC(C)CC(Oc2cc(Cl)nc(C(F)(F)F)n2)C1.
What is the InChIKey of 4-chloro-6-(3,5-dimethylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidine?
The InChIKey is ZLBRQOLSRTWEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF3N2O/c1-7-3-8(2)5-9(4-7)20-11-6-10(14)18-12(19-11)13(15,16)17/h6-9H,3-5H2,1-2H3.
What are the key properties of 4-chloro-6-(3,5-dimethylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidine?
4-chloro-6-(3,5-dimethylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidine has a molecular weight of 308.73 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3,5-dimethylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 106766804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).