5-[2-[3-(trifluoromethoxy)phenoxy]pyrimidin-5-yl]pyridin-2-amine

C16H11F3N4O2 — CID 162507379

IUPAC5-[2-[3-(trifluoromethoxy)phenoxy]pyrimidin-5-yl]pyridin-2-amine
SMILESNc1ccc(-c2cnc(Oc3cccc(OC(F)(F)F)c3)nc2)cn1
InChIInChI=1S/C16H11F3N4O2/c17-16(18,19)25-13-3-1-2-12(6-13)24-15-22-8-11(9-23-15)10-4-5-14(20)21-7-10/h1-9H,(H2,20,21)
InChIKeyIETSAAYJONSPCJ-UHFFFAOYSA-N
MW348.28 g/mol
LogP3.81
Rot. Bonds4

About 5-[2-[3-(trifluoromethoxy)phenoxy]pyrimidin-5-yl]pyridin-2-amine

5-[2-[3-(trifluoromethoxy)phenoxy]pyrimidin-5-yl]pyridin-2-amine (PubChem CID 162507379) has the molecular formula C16H11F3N4O2 and a molecular weight of 348.28 g/mol. Its IUPAC name is 5-[2-[3-(trifluoromethoxy)phenoxy]pyrimidin-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[2-[3-(trifluoromethoxy)phenoxy]pyrimidin-5-yl]pyridin-2-amine
PubChem CID162507379
Molecular FormulaC16H11F3N4O2
Molecular Weight348.28 g/mol
Exact Mass348.08
IUPAC Name5-[2-[3-(trifluoromethoxy)phenoxy]pyrimidin-5-yl]pyridin-2-amine
SMILESNc1ccc(-c2cnc(Oc3cccc(OC(F)(F)F)c3)nc2)cn1
InChIInChI=1S/C16H11F3N4O2/c17-16(18,19)25-13-3-1-2-12(6-13)24-15-22-8-11(9-23-15)10-4-5-14(20)21-7-10/h1-9H,(H2,20,21)
InChIKeyIETSAAYJONSPCJ-UHFFFAOYSA-N
XLogP3.81
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-bis[3-(trifluoromethoxy)phenoxy]benzene
CID 154161092
5-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine
CID 134628617
2-tert-butyl-5-[3-(trifluoromethoxy)phenyl]pyridine
CID 20709419
2-phenoxy-5-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine
CID 162507482
5-[3-(trifluoromethoxy)phenyl]-1,3-oxazol-2-amine
CID 121231645
1-(2-bromopropan-2-yloxy)-3-(trifluoromethoxy)benzene
CID 69380346
2,5-bis[3-(trifluoromethoxy)phenyl]pyridin-4-amine
CID 118828810
5-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
CID 22326853
5-phenyl-6-[3-(trifluoromethoxy)phenoxy]-1,2,4-triazin-3-amine
CID 158457418
3,5-bis[3-(trifluoromethoxy)phenyl]pyridine
CID 134623402
2-(3-ethoxyphenoxy)pyrimidin-5-amine
CID 55060800
6-methoxy-5-[3-(trifluoromethoxy)phenyl]pyridin-3-amine
CID 133086740

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-(trifluoromethoxy)phenoxy]pyrimidin-5-yl]pyridin-2-amine?
The IUPAC name of 5-[2-[3-(trifluoromethoxy)phenoxy]pyrimidin-5-yl]pyridin-2-amine (CID 162507379) is 5-[2-[3-(trifluoromethoxy)phenoxy]pyrimidin-5-yl]pyridin-2-amine.
What is the SMILES notation for 5-[2-[3-(trifluoromethoxy)phenoxy]pyrimidin-5-yl]pyridin-2-amine?
The canonical SMILES for 5-[2-[3-(trifluoromethoxy)phenoxy]pyrimidin-5-yl]pyridin-2-amine is Nc1ccc(-c2cnc(Oc3cccc(OC(F)(F)F)c3)nc2)cn1.
What is the InChIKey of 5-[2-[3-(trifluoromethoxy)phenoxy]pyrimidin-5-yl]pyridin-2-amine?
The InChIKey is IETSAAYJONSPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N4O2/c17-16(18,19)25-13-3-1-2-12(6-13)24-15-22-8-11(9-23-15)10-4-5-14(20)21-7-10/h1-9H,(H2,20,21).
What are the key properties of 5-[2-[3-(trifluoromethoxy)phenoxy]pyrimidin-5-yl]pyridin-2-amine?
5-[2-[3-(trifluoromethoxy)phenoxy]pyrimidin-5-yl]pyridin-2-amine has a molecular weight of 348.28 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-(trifluoromethoxy)phenoxy]pyrimidin-5-yl]pyridin-2-amine is sourced from PubChem (CID 162507379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).