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

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Related Compounds

2-(4,5-dihydro-1H-imidazol-2-yl)-4-(trifluoromethyl)-1,3-dihydroisoindole
CID 19691993
2-(2-pyrimidin-2-ylpyrimidin-5-yl)-3,4-dihydro-1H-isoquinoline
CID 139461226
5-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine
CID 117212437
2-methyl-8-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline
CID 59534446
2-(2-pyrimidin-2-ylpyrimidin-5-yl)-3,4-dihydro-1H-isoquinolin-6-ol
CID 142341766
2-pyrimidin-5-yl-1,3-dihydroisoindol-4-amine
CID 107589532
2-propan-2-yl-8-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline
CID 123148647
2-quinolin-6-yl-1,3-dihydroisoindol-4-amine
CID 62634434
4-(trifluoromethyl)-2,3-dihydro-1H-indene
CID 126626843
N,N-diamino-3-(trifluoromethyl)pyridin-2-amine
CID 68718217
4-(trifluoromethyl)-2,3-dihydro-1H-isoindole;hydrochloride
CID 67486328
(3S)-3-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperazine
CID 68719907

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).