2-(2-pyrimidin-2-ylpyrimidin-5-yl)-4-(trifluoromethyl)-1,3-dihydroisoindole

C17H12F3N5 — CID 153364920

IUPAC2-(2-pyrimidin-2-ylpyrimidin-5-yl)-4-(trifluoromethyl)-1,3-dihydroisoindole
SMILESFC(F)(F)c1cccc2c1CN(c1cnc(-c3ncccn3)nc1)C2
InChIInChI=1S/C17H12F3N5/c18-17(19,20)14-4-1-3-11-9-25(10-13(11)14)12-7-23-16(24-8-12)15-21-5-2-6-22-15/h1-8H,9-10H2
InChIKeyDCGLUGKWSBXCGP-UHFFFAOYSA-N
MW343.31 g/mol
LogP3.47
Rot. Bonds2

About 2-(2-pyrimidin-2-ylpyrimidin-5-yl)-4-(trifluoromethyl)-1,3-dihydroisoindole

2-(2-pyrimidin-2-ylpyrimidin-5-yl)-4-(trifluoromethyl)-1,3-dihydroisoindole (PubChem CID 153364920) has the molecular formula C17H12F3N5 and a molecular weight of 343.31 g/mol. Its IUPAC name is 2-(2-pyrimidin-2-ylpyrimidin-5-yl)-4-(trifluoromethyl)-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-(2-pyrimidin-2-ylpyrimidin-5-yl)-4-(trifluoromethyl)-1,3-dihydroisoindole
PubChem CID153364920
Molecular FormulaC17H12F3N5
Molecular Weight343.31 g/mol
Exact Mass343.10
IUPAC Name2-(2-pyrimidin-2-ylpyrimidin-5-yl)-4-(trifluoromethyl)-1,3-dihydroisoindole
SMILESFC(F)(F)c1cccc2c1CN(c1cnc(-c3ncccn3)nc1)C2
InChIInChI=1S/C17H12F3N5/c18-17(19,20)14-4-1-3-11-9-25(10-13(11)14)12-7-23-16(24-8-12)15-21-5-2-6-22-15/h1-8H,9-10H2
InChIKeyDCGLUGKWSBXCGP-UHFFFAOYSA-N
XLogP3.47
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2-pyrimidin-2-ylpyrimidin-5-yl)-4-(trifluoromethyl)-1,3-dihydroisoindole 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-(2-pyrimidin-2-ylpyrimidin-5-yl)-4-(trifluoromethyl)-1,3-dihydroisoindole?
The IUPAC name of 2-(2-pyrimidin-2-ylpyrimidin-5-yl)-4-(trifluoromethyl)-1,3-dihydroisoindole (CID 153364920) is 2-(2-pyrimidin-2-ylpyrimidin-5-yl)-4-(trifluoromethyl)-1,3-dihydroisoindole.
What is the SMILES notation for 2-(2-pyrimidin-2-ylpyrimidin-5-yl)-4-(trifluoromethyl)-1,3-dihydroisoindole?
The canonical SMILES for 2-(2-pyrimidin-2-ylpyrimidin-5-yl)-4-(trifluoromethyl)-1,3-dihydroisoindole is FC(F)(F)c1cccc2c1CN(c1cnc(-c3ncccn3)nc1)C2.
What is the InChIKey of 2-(2-pyrimidin-2-ylpyrimidin-5-yl)-4-(trifluoromethyl)-1,3-dihydroisoindole?
The InChIKey is DCGLUGKWSBXCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N5/c18-17(19,20)14-4-1-3-11-9-25(10-13(11)14)12-7-23-16(24-8-12)15-21-5-2-6-22-15/h1-8H,9-10H2.
What are the key properties of 2-(2-pyrimidin-2-ylpyrimidin-5-yl)-4-(trifluoromethyl)-1,3-dihydroisoindole?
2-(2-pyrimidin-2-ylpyrimidin-5-yl)-4-(trifluoromethyl)-1,3-dihydroisoindole has a molecular weight of 343.31 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrimidin-2-ylpyrimidin-5-yl)-4-(trifluoromethyl)-1,3-dihydroisoindole is sourced from PubChem (CID 153364920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).