5-[2-fluoro-4-[2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]phenyl]pyrimidin-2-amine

C22H14F4N4O — CID 90313416

IUPAC5-[2-fluoro-4-[2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]phenyl]pyrimidin-2-amine
SMILESNc1ncc(-c2ccc(-c3ccccc3Oc3ccnc(C(F)(F)F)c3)cc2F)cn1
InChIInChI=1S/C22H14F4N4O/c23-18-9-13(5-6-16(18)14-11-29-21(27)30-12-14)17-3-1-2-4-19(17)31-15-7-8-28-20(10-15)22(24,25)26/h1-12H,(H2,27,29,30)
InChIKeyRYJGDHGRVLNZQI-UHFFFAOYSA-N
MW426.37 g/mol
LogP5.74
Rot. Bonds4

About 5-[2-fluoro-4-[2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]phenyl]pyrimidin-2-amine

5-[2-fluoro-4-[2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]phenyl]pyrimidin-2-amine (PubChem CID 90313416) has the molecular formula C22H14F4N4O and a molecular weight of 426.37 g/mol. Its IUPAC name is 5-[2-fluoro-4-[2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[2-fluoro-4-[2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]phenyl]pyrimidin-2-amine
PubChem CID90313416
Molecular FormulaC22H14F4N4O
Molecular Weight426.37 g/mol
Exact Mass426.11
IUPAC Name5-[2-fluoro-4-[2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]phenyl]pyrimidin-2-amine
SMILESNc1ncc(-c2ccc(-c3ccccc3Oc3ccnc(C(F)(F)F)c3)cc2F)cn1
InChIInChI=1S/C22H14F4N4O/c23-18-9-13(5-6-16(18)14-11-29-21(27)30-12-14)17-3-1-2-4-19(17)31-15-7-8-28-20(10-15)22(24,25)26/h1-12H,(H2,27,29,30)
InChIKeyRYJGDHGRVLNZQI-UHFFFAOYSA-N
XLogP5.74
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.37
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[2-fluoro-4-[2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]phenyl]pyrimidin-2-amine 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

6-Ethyl-5-{3-[2-Methoxy-5-(Pyridin-4-Yl)phenyl]prop-1-Yn-1-Yl}pyrimidine-2,4-Diamine
CID 57149549
2-(4-Fluorophenoxy)-4-(4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl)pyrimidine
CID 9910722
3-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)isoquinoline
CID 9976219
8-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)quinazolin-2-amine
CID 10068521
8-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)quinoline
CID 10316876
5-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)quinoline
CID 10338944
8-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)isoquinoline
CID 10384316
2-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)quinoline
CID 10406635
5-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)isoquinoline
CID 10406636
7-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)isoquinoline
CID 10429017
7-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)quinoline
CID 10429018
1-[3-Methyl-4-({3-[2-(Methylamino)pyrimidin-4-Yl]pyridin-2-Yl}oxy)phenyl]-3-[3-(Trifluoromethyl)phenyl]urea
CID 25113168

Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-4-[2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]phenyl]pyrimidin-2-amine?
The IUPAC name of 5-[2-fluoro-4-[2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]phenyl]pyrimidin-2-amine (CID 90313416) is 5-[2-fluoro-4-[2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]phenyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[2-fluoro-4-[2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]phenyl]pyrimidin-2-amine?
The canonical SMILES for 5-[2-fluoro-4-[2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]phenyl]pyrimidin-2-amine is Nc1ncc(-c2ccc(-c3ccccc3Oc3ccnc(C(F)(F)F)c3)cc2F)cn1.
What is the InChIKey of 5-[2-fluoro-4-[2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]phenyl]pyrimidin-2-amine?
The InChIKey is RYJGDHGRVLNZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F4N4O/c23-18-9-13(5-6-16(18)14-11-29-21(27)30-12-14)17-3-1-2-4-19(17)31-15-7-8-28-20(10-15)22(24,25)26/h1-12H,(H2,27,29,30).
What are the key properties of 5-[2-fluoro-4-[2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]phenyl]pyrimidin-2-amine?
5-[2-fluoro-4-[2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]phenyl]pyrimidin-2-amine has a molecular weight of 426.37 g/mol, XLogP of 5.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-4-[2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]phenyl]pyrimidin-2-amine is sourced from PubChem (CID 90313416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).