4-(2-pyridin-2-ylethoxy)-6-[4-(trifluoromethyl)phenyl]pyrimidine

C18H14F3N3O — CID 10066135

IUPAC4-(2-pyridin-2-ylethoxy)-6-[4-(trifluoromethyl)phenyl]pyrimidine
SMILESFC(F)(F)c1ccc(-c2cc(OCCc3ccccn3)ncn2)cc1
InChIInChI=1S/C18H14F3N3O/c19-18(20,21)14-6-4-13(5-7-14)16-11-17(24-12-23-16)25-10-8-15-3-1-2-9-22-15/h1-7,9,11-12H,8,10H2
InChIKeyNGNNCNWWESLHMH-UHFFFAOYSA-N
MW345.32 g/mol
LogP4.18
Rot. Bonds5

About 4-(2-pyridin-2-ylethoxy)-6-[4-(trifluoromethyl)phenyl]pyrimidine

4-(2-pyridin-2-ylethoxy)-6-[4-(trifluoromethyl)phenyl]pyrimidine (PubChem CID 10066135) has the molecular formula C18H14F3N3O and a molecular weight of 345.32 g/mol. Its IUPAC name is 4-(2-pyridin-2-ylethoxy)-6-[4-(trifluoromethyl)phenyl]pyrimidine.

Molecular Properties

Compound Name4-(2-pyridin-2-ylethoxy)-6-[4-(trifluoromethyl)phenyl]pyrimidine
PubChem CID10066135
Molecular FormulaC18H14F3N3O
Molecular Weight345.32 g/mol
Exact Mass345.11
IUPAC Name4-(2-pyridin-2-ylethoxy)-6-[4-(trifluoromethyl)phenyl]pyrimidine
SMILESFC(F)(F)c1ccc(-c2cc(OCCc3ccccn3)ncn2)cc1
InChIInChI=1S/C18H14F3N3O/c19-18(20,21)14-6-4-13(5-7-14)16-11-17(24-12-23-16)25-10-8-15-3-1-2-9-22-15/h1-7,9,11-12H,8,10H2
InChIKeyNGNNCNWWESLHMH-UHFFFAOYSA-N
XLogP4.18
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(2-pyridin-2-ylethoxy)-6-[4-(trifluoromethyl)phenyl]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-(2-pyridin-2-ylethoxy)-6-[4-(trifluoromethyl)phenyl]pyrimidine?
The IUPAC name of 4-(2-pyridin-2-ylethoxy)-6-[4-(trifluoromethyl)phenyl]pyrimidine (CID 10066135) is 4-(2-pyridin-2-ylethoxy)-6-[4-(trifluoromethyl)phenyl]pyrimidine.
What is the SMILES notation for 4-(2-pyridin-2-ylethoxy)-6-[4-(trifluoromethyl)phenyl]pyrimidine?
The canonical SMILES for 4-(2-pyridin-2-ylethoxy)-6-[4-(trifluoromethyl)phenyl]pyrimidine is FC(F)(F)c1ccc(-c2cc(OCCc3ccccn3)ncn2)cc1.
What is the InChIKey of 4-(2-pyridin-2-ylethoxy)-6-[4-(trifluoromethyl)phenyl]pyrimidine?
The InChIKey is NGNNCNWWESLHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O/c19-18(20,21)14-6-4-13(5-7-14)16-11-17(24-12-23-16)25-10-8-15-3-1-2-9-22-15/h1-7,9,11-12H,8,10H2.
What are the key properties of 4-(2-pyridin-2-ylethoxy)-6-[4-(trifluoromethyl)phenyl]pyrimidine?
4-(2-pyridin-2-ylethoxy)-6-[4-(trifluoromethyl)phenyl]pyrimidine has a molecular weight of 345.32 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyridin-2-ylethoxy)-6-[4-(trifluoromethyl)phenyl]pyrimidine is sourced from PubChem (CID 10066135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).