2-phenoxy-5-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine

C15H9F3N4O — CID 162507482

IUPAC2-phenoxy-5-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine
SMILESFC(F)(F)c1ncc(-c2cnc(Oc3ccccc3)nc2)cn1
InChIInChI=1S/C15H9F3N4O/c16-15(17,18)13-19-6-10(7-20-13)11-8-21-14(22-9-11)23-12-4-2-1-3-5-12/h1-9H
InChIKeyLLAQTOTWKWOMSZ-UHFFFAOYSA-N
MW318.26 g/mol
LogP3.74
Rot. Bonds3

About 2-phenoxy-5-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine

2-phenoxy-5-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine (PubChem CID 162507482) has the molecular formula C15H9F3N4O and a molecular weight of 318.26 g/mol. Its IUPAC name is 2-phenoxy-5-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine.

Molecular Properties

Compound Name2-phenoxy-5-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine
PubChem CID162507482
Molecular FormulaC15H9F3N4O
Molecular Weight318.26 g/mol
Exact Mass318.07
IUPAC Name2-phenoxy-5-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine
SMILESFC(F)(F)c1ncc(-c2cnc(Oc3ccccc3)nc2)cn1
InChIInChI=1S/C15H9F3N4O/c16-15(17,18)13-19-6-10(7-20-13)11-8-21-14(22-9-11)23-12-4-2-1-3-5-12/h1-9H
InChIKeyLLAQTOTWKWOMSZ-UHFFFAOYSA-N
XLogP3.74
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.26
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(6-methoxy-3-pyridinyl)-2-phenoxypyrimidine
CID 146597513
5-(2-methyl-4-pyridinyl)-2-phenoxypyrimidine
CID 162507638
5-(2-phenoxypyrimidin-5-yl)-1H-pyrazol-4-amine
CID 151009630
2-[2-(trifluoromethyl)pyrimidin-5-yl]aniline
CID 82388489
1-methyl-5-(2-phenoxypyrimidin-5-yl)indole
CID 162507455
2-naphthalen-2-yloxy-5-(trifluoromethyl)pyrimidine
CID 154226317
5-[2-[3-(trifluoromethoxy)phenoxy]pyrimidin-5-yl]pyridin-2-amine
CID 162507379
5-(6-methylidene-1H-pyridin-3-yl)-2-phenoxypyrimidine
CID 163500087
6-(2-phenoxypyrimidin-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 162507407
5-iodo-2-[3-(trifluoromethyl)phenoxy]pyrimidine
CID 13336606
4-(2-phenoxypyrimidin-5-yl)-1,3-dihydroindol-2-one
CID 162507639
methyl 2-phenoxypyrimidine-5-carboxylate
CID 68554907

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-5-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine?
The IUPAC name of 2-phenoxy-5-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine (CID 162507482) is 2-phenoxy-5-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine.
What is the SMILES notation for 2-phenoxy-5-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine?
The canonical SMILES for 2-phenoxy-5-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine is FC(F)(F)c1ncc(-c2cnc(Oc3ccccc3)nc2)cn1.
What is the InChIKey of 2-phenoxy-5-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine?
The InChIKey is LLAQTOTWKWOMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N4O/c16-15(17,18)13-19-6-10(7-20-13)11-8-21-14(22-9-11)23-12-4-2-1-3-5-12/h1-9H.
What are the key properties of 2-phenoxy-5-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine?
2-phenoxy-5-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine has a molecular weight of 318.26 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-5-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine is sourced from PubChem (CID 162507482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).