5-(2,4-difluoro-5-methoxyphenyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine

C17H10F5N3O2 — CID 135235718

IUPAC5-(2,4-difluoro-5-methoxyphenyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine
SMILESCOc1cc(-c2cncnc2Oc2ccc(C(F)(F)F)nc2)c(F)cc1F
InChIInChI=1S/C17H10F5N3O2/c1-26-14-4-10(12(18)5-13(14)19)11-7-23-8-25-16(11)27-9-2-3-15(24-6-9)17(20,21)22/h2-8H,1H3
InChIKeyDXTSLYKCFMBOPQ-UHFFFAOYSA-N
MW383.28 g/mol
LogP4.64
Rot. Bonds4

About 5-(2,4-difluoro-5-methoxyphenyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine

5-(2,4-difluoro-5-methoxyphenyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine (PubChem CID 135235718) has the molecular formula C17H10F5N3O2 and a molecular weight of 383.28 g/mol. Its IUPAC name is 5-(2,4-difluoro-5-methoxyphenyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine.

Molecular Properties

Compound Name5-(2,4-difluoro-5-methoxyphenyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine
PubChem CID135235718
Molecular FormulaC17H10F5N3O2
Molecular Weight383.28 g/mol
Exact Mass383.07
IUPAC Name5-(2,4-difluoro-5-methoxyphenyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine
SMILESCOc1cc(-c2cncnc2Oc2ccc(C(F)(F)F)nc2)c(F)cc1F
InChIInChI=1S/C17H10F5N3O2/c1-26-14-4-10(12(18)5-13(14)19)11-7-23-8-25-16(11)27-9-2-3-15(24-6-9)17(20,21)22/h2-8H,1H3
InChIKeyDXTSLYKCFMBOPQ-UHFFFAOYSA-N
XLogP4.64
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.28
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(2,4-difluoro-5-methoxyphenyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine 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 5-(2,4-difluoro-5-methoxyphenyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine?
The IUPAC name of 5-(2,4-difluoro-5-methoxyphenyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine (CID 135235718) is 5-(2,4-difluoro-5-methoxyphenyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine.
What is the SMILES notation for 5-(2,4-difluoro-5-methoxyphenyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine?
The canonical SMILES for 5-(2,4-difluoro-5-methoxyphenyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine is COc1cc(-c2cncnc2Oc2ccc(C(F)(F)F)nc2)c(F)cc1F.
What is the InChIKey of 5-(2,4-difluoro-5-methoxyphenyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine?
The InChIKey is DXTSLYKCFMBOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F5N3O2/c1-26-14-4-10(12(18)5-13(14)19)11-7-23-8-25-16(11)27-9-2-3-15(24-6-9)17(20,21)22/h2-8H,1H3.
What are the key properties of 5-(2,4-difluoro-5-methoxyphenyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine?
5-(2,4-difluoro-5-methoxyphenyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine has a molecular weight of 383.28 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluoro-5-methoxyphenyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine is sourced from PubChem (CID 135235718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).