2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine

C12H9F3N2 — CID 121010377

IUPAC2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
SMILESFC(F)(F)c1cccc(Cc2ncccn2)c1
InChIInChI=1S/C12H9F3N2/c13-12(14,15)10-4-1-3-9(7-10)8-11-16-5-2-6-17-11/h1-7H,8H2
InChIKeyQJRMDKWEZBCSAR-UHFFFAOYSA-N
MW238.21 g/mol
LogP3.09
Rot. Bonds2

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

2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine (PubChem CID 121010377) has the molecular formula C12H9F3N2 and a molecular weight of 238.21 g/mol. Its IUPAC name is 2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine.

Molecular Properties

Compound Name2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
PubChem CID121010377
Molecular FormulaC12H9F3N2
Molecular Weight238.21 g/mol
Exact Mass238.07
IUPAC Name2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
SMILESFC(F)(F)c1cccc(Cc2ncccn2)c1
InChIInChI=1S/C12H9F3N2/c13-12(14,15)10-4-1-3-9(7-10)8-11-16-5-2-6-17-11/h1-7H,8H2
InChIKeyQJRMDKWEZBCSAR-UHFFFAOYSA-N
XLogP3.09
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]hydrazine
CID 14685626
5-iodo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazole
CID 102618418
4,6-dichloro-5-iodo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
CID 66316212
5-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 66301823
4-(trifluoromethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine
CID 58040029
N-methyl-1-pyridin-2-yl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 62600521
1-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzene
CID 122368794
1,1,1-trifluoro-N-methyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 66468158
N-(pyrimidin-2-ylmethyl)-3-(trifluoromethyl)aniline
CID 62698775
3-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrazolo[4,3-c]pyridine
CID 153204005
2-chloro-4-ethoxy-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine
CID 58039427
2-chloro-4-propyl-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine
CID 58040421

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine?
The IUPAC name of 2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine (CID 121010377) is 2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine.
What is the SMILES notation for 2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine?
The canonical SMILES for 2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine is FC(F)(F)c1cccc(Cc2ncccn2)c1.
What is the InChIKey of 2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine?
The InChIKey is QJRMDKWEZBCSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2/c13-12(14,15)10-4-1-3-9(7-10)8-11-16-5-2-6-17-11/h1-7H,8H2.
What are the key properties of 2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine?
2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine has a molecular weight of 238.21 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine is sourced from PubChem (CID 121010377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).