3-(4,6-dimethylpyrimidin-2-yl)oxy-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide

C18H19F3N4O2 — CID 119100351

IUPAC3-(4,6-dimethylpyrimidin-2-yl)oxy-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
SMILESCc1cc(C)nc(OC2CCN(C(=O)Nc3ccccc3C(F)(F)F)C2)n1
InChIInChI=1S/C18H19F3N4O2/c1-11-9-12(2)23-16(22-11)27-13-7-8-25(10-13)17(26)24-15-6-4-3-5-14(15)18(19,20)21/h3-6,9,13H,7-8,10H2,1-2H3,(H,24,26)
InChIKeyZQODJRWLKJKAKB-UHFFFAOYSA-N
MW380.37 g/mol
LogP3.80
Rot. Bonds3

About 3-(4,6-dimethylpyrimidin-2-yl)oxy-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide

3-(4,6-dimethylpyrimidin-2-yl)oxy-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide (PubChem CID 119100351) has the molecular formula C18H19F3N4O2 and a molecular weight of 380.37 g/mol. Its IUPAC name is 3-(4,6-dimethylpyrimidin-2-yl)oxy-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(4,6-dimethylpyrimidin-2-yl)oxy-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
PubChem CID119100351
Molecular FormulaC18H19F3N4O2
Molecular Weight380.37 g/mol
Exact Mass380.15
IUPAC Name3-(4,6-dimethylpyrimidin-2-yl)oxy-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
SMILESCc1cc(C)nc(OC2CCN(C(=O)Nc3ccccc3C(F)(F)F)C2)n1
InChIInChI=1S/C18H19F3N4O2/c1-11-9-12(2)23-16(22-11)27-13-7-8-25(10-13)17(26)24-15-6-4-3-5-14(15)18(19,20)21/h3-6,9,13H,7-8,10H2,1-2H3,(H,24,26)
InChIKeyZQODJRWLKJKAKB-UHFFFAOYSA-N
XLogP3.80
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4,6-dimethylpyrimidin-2-yl)oxy-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide 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 3-(4,6-dimethylpyrimidin-2-yl)oxy-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-(4,6-dimethylpyrimidin-2-yl)oxy-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide (CID 119100351) is 3-(4,6-dimethylpyrimidin-2-yl)oxy-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(4,6-dimethylpyrimidin-2-yl)oxy-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(4,6-dimethylpyrimidin-2-yl)oxy-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide is Cc1cc(C)nc(OC2CCN(C(=O)Nc3ccccc3C(F)(F)F)C2)n1.
What is the InChIKey of 3-(4,6-dimethylpyrimidin-2-yl)oxy-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is ZQODJRWLKJKAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O2/c1-11-9-12(2)23-16(22-11)27-13-7-8-25(10-13)17(26)24-15-6-4-3-5-14(15)18(19,20)21/h3-6,9,13H,7-8,10H2,1-2H3,(H,24,26).
What are the key properties of 3-(4,6-dimethylpyrimidin-2-yl)oxy-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
3-(4,6-dimethylpyrimidin-2-yl)oxy-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 380.37 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethylpyrimidin-2-yl)oxy-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 119100351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).