4-methyl-2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidine

C17H12F3N3 — CID 14281179

IUPAC4-methyl-2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidine
SMILESCc1ccnc(-c2cccc(-c3cccc(C(F)(F)F)c3)n2)n1
InChIInChI=1S/C17H12F3N3/c1-11-8-9-21-16(22-11)15-7-3-6-14(23-15)12-4-2-5-13(10-12)17(18,19)20/h2-10H,1H3
InChIKeyKGLUKILJXLJXJF-UHFFFAOYSA-N
MW315.30 g/mol
LogP4.53
Rot. Bonds2

About 4-methyl-2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidine

4-methyl-2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidine (PubChem CID 14281179) has the molecular formula C17H12F3N3 and a molecular weight of 315.30 g/mol. Its IUPAC name is 4-methyl-2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidine.

Molecular Properties

Compound Name4-methyl-2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidine
PubChem CID14281179
Molecular FormulaC17H12F3N3
Molecular Weight315.30 g/mol
Exact Mass315.10
IUPAC Name4-methyl-2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidine
SMILESCc1ccnc(-c2cccc(-c3cccc(C(F)(F)F)c3)n2)n1
InChIInChI=1S/C17H12F3N3/c1-11-8-9-21-16(22-11)15-7-3-6-14(23-15)12-4-2-5-13(10-12)17(18,19)20/h2-10H,1H3
InChIKeyKGLUKILJXLJXJF-UHFFFAOYSA-N
XLogP4.53
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-methyl-2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]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-methyl-2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidine?
The IUPAC name of 4-methyl-2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidine (CID 14281179) is 4-methyl-2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidine.
What is the SMILES notation for 4-methyl-2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidine?
The canonical SMILES for 4-methyl-2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidine is Cc1ccnc(-c2cccc(-c3cccc(C(F)(F)F)c3)n2)n1.
What is the InChIKey of 4-methyl-2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidine?
The InChIKey is KGLUKILJXLJXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3/c1-11-8-9-21-16(22-11)15-7-3-6-14(23-15)12-4-2-5-13(10-12)17(18,19)20/h2-10H,1H3.
What are the key properties of 4-methyl-2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidine?
4-methyl-2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidine has a molecular weight of 315.30 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidine is sourced from PubChem (CID 14281179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).