2-chloro-4-(oxan-4-ylmethoxy)-6-(trifluoromethyl)pyrimidine

C11H12ClF3N2O2 — CID 114562086

IUPAC2-chloro-4-(oxan-4-ylmethoxy)-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(OCC2CCOCC2)nc(Cl)n1
InChIInChI=1S/C11H12ClF3N2O2/c12-10-16-8(11(13,14)15)5-9(17-10)19-6-7-1-3-18-4-2-7/h5,7H,1-4,6H2
InChIKeyVGSJUKNULDHOGD-UHFFFAOYSA-N
MW296.68 g/mol
LogP2.95
Rot. Bonds3

About 2-chloro-4-(oxan-4-ylmethoxy)-6-(trifluoromethyl)pyrimidine

2-chloro-4-(oxan-4-ylmethoxy)-6-(trifluoromethyl)pyrimidine (PubChem CID 114562086) has the molecular formula C11H12ClF3N2O2 and a molecular weight of 296.68 g/mol. Its IUPAC name is 2-chloro-4-(oxan-4-ylmethoxy)-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(oxan-4-ylmethoxy)-6-(trifluoromethyl)pyrimidine
PubChem CID114562086
Molecular FormulaC11H12ClF3N2O2
Molecular Weight296.68 g/mol
Exact Mass296.05
IUPAC Name2-chloro-4-(oxan-4-ylmethoxy)-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(OCC2CCOCC2)nc(Cl)n1
InChIInChI=1S/C11H12ClF3N2O2/c12-10-16-8(11(13,14)15)5-9(17-10)19-6-7-1-3-18-4-2-7/h5,7H,1-4,6H2
InChIKeyVGSJUKNULDHOGD-UHFFFAOYSA-N
XLogP2.95
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.68
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-chloro-4-(oxan-4-ylmethoxy)-6-(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 2-chloro-4-(oxan-4-ylmethoxy)-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-chloro-4-(oxan-4-ylmethoxy)-6-(trifluoromethyl)pyrimidine (CID 114562086) is 2-chloro-4-(oxan-4-ylmethoxy)-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-chloro-4-(oxan-4-ylmethoxy)-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-chloro-4-(oxan-4-ylmethoxy)-6-(trifluoromethyl)pyrimidine is FC(F)(F)c1cc(OCC2CCOCC2)nc(Cl)n1.
What is the InChIKey of 2-chloro-4-(oxan-4-ylmethoxy)-6-(trifluoromethyl)pyrimidine?
The InChIKey is VGSJUKNULDHOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3N2O2/c12-10-16-8(11(13,14)15)5-9(17-10)19-6-7-1-3-18-4-2-7/h5,7H,1-4,6H2.
What are the key properties of 2-chloro-4-(oxan-4-ylmethoxy)-6-(trifluoromethyl)pyrimidine?
2-chloro-4-(oxan-4-ylmethoxy)-6-(trifluoromethyl)pyrimidine has a molecular weight of 296.68 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(oxan-4-ylmethoxy)-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 114562086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).