2-[6-methyl-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]-1,3-dihydroisoindole

C19H15F3N4 — CID 141441730

IUPAC2-[6-methyl-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]-1,3-dihydroisoindole
SMILESCc1cc(-c2cnc(C(F)(F)F)nc2)cc(N2Cc3ccccc3C2)n1
InChIInChI=1S/C19H15F3N4/c1-12-6-15(16-8-23-18(24-9-16)19(20,21)22)7-17(25-12)26-10-13-4-2-3-5-14(13)11-26/h2-9H,10-11H2,1H3
InChIKeyLZMFBORYNGYSSM-UHFFFAOYSA-N
MW356.35 g/mol
LogP4.39
Rot. Bonds2

About 2-[6-methyl-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]-1,3-dihydroisoindole

2-[6-methyl-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]-1,3-dihydroisoindole (PubChem CID 141441730) has the molecular formula C19H15F3N4 and a molecular weight of 356.35 g/mol. Its IUPAC name is 2-[6-methyl-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-[6-methyl-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]-1,3-dihydroisoindole
PubChem CID141441730
Molecular FormulaC19H15F3N4
Molecular Weight356.35 g/mol
Exact Mass356.12
IUPAC Name2-[6-methyl-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]-1,3-dihydroisoindole
SMILESCc1cc(-c2cnc(C(F)(F)F)nc2)cc(N2Cc3ccccc3C2)n1
InChIInChI=1S/C19H15F3N4/c1-12-6-15(16-8-23-18(24-9-16)19(20,21)22)7-17(25-12)26-10-13-4-2-3-5-14(13)11-26/h2-9H,10-11H2,1H3
InChIKeyLZMFBORYNGYSSM-UHFFFAOYSA-N
XLogP4.39
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-methyl-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]-1,3-dihydroisoindole?
The IUPAC name of 2-[6-methyl-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]-1,3-dihydroisoindole (CID 141441730) is 2-[6-methyl-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]-1,3-dihydroisoindole.
What is the SMILES notation for 2-[6-methyl-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]-1,3-dihydroisoindole?
The canonical SMILES for 2-[6-methyl-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]-1,3-dihydroisoindole is Cc1cc(-c2cnc(C(F)(F)F)nc2)cc(N2Cc3ccccc3C2)n1.
What is the InChIKey of 2-[6-methyl-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]-1,3-dihydroisoindole?
The InChIKey is LZMFBORYNGYSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4/c1-12-6-15(16-8-23-18(24-9-16)19(20,21)22)7-17(25-12)26-10-13-4-2-3-5-14(13)11-26/h2-9H,10-11H2,1H3.
What are the key properties of 2-[6-methyl-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]-1,3-dihydroisoindole?
2-[6-methyl-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]-1,3-dihydroisoindole has a molecular weight of 356.35 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methyl-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]-1,3-dihydroisoindole is sourced from PubChem (CID 141441730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).