5-(2-methoxycyclohexa-1,3-dien-1-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine

C17H14F3N3O2 — CID 135246573

IUPAC5-(2-methoxycyclohexa-1,3-dien-1-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine
SMILESCOC1=C(c2cncnc2Oc2ccc(C(F)(F)F)nc2)CCC=C1
InChIInChI=1S/C17H14F3N3O2/c1-24-14-5-3-2-4-12(14)13-9-21-10-23-16(13)25-11-6-7-15(22-8-11)17(18,19)20/h3,5-10H,2,4H2,1H3
InChIKeyJYWFEZDYXBZZHL-UHFFFAOYSA-N
MW349.31 g/mol
LogP4.39
Rot. Bonds4

About 5-(2-methoxycyclohexa-1,3-dien-1-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine

5-(2-methoxycyclohexa-1,3-dien-1-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine (PubChem CID 135246573) has the molecular formula C17H14F3N3O2 and a molecular weight of 349.31 g/mol. Its IUPAC name is 5-(2-methoxycyclohexa-1,3-dien-1-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine.

Molecular Properties

Compound Name5-(2-methoxycyclohexa-1,3-dien-1-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine
PubChem CID135246573
Molecular FormulaC17H14F3N3O2
Molecular Weight349.31 g/mol
Exact Mass349.10
IUPAC Name5-(2-methoxycyclohexa-1,3-dien-1-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine
SMILESCOC1=C(c2cncnc2Oc2ccc(C(F)(F)F)nc2)CCC=C1
InChIInChI=1S/C17H14F3N3O2/c1-24-14-5-3-2-4-12(14)13-9-21-10-23-16(13)25-11-6-7-15(22-8-11)17(18,19)20/h3,5-10H,2,4H2,1H3
InChIKeyJYWFEZDYXBZZHL-UHFFFAOYSA-N
XLogP4.39
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(2-methoxycyclohexa-1,3-dien-1-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine with MolForge

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Related Compounds

5-(4,5-difluoro-2-methoxyphenyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine
CID 135235968
5-(2,4-difluoro-5-methoxyphenyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine
CID 135235718
4-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-5-(4-fluoro-2-methoxyphenyl)pyrimidine
CID 126714412
5-(5-chloro-3-pyridinyl)-4-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]pyrimidine
CID 135246796
5-fluoro-2-methoxy-3-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]pyridine
CID 135235911
5-bromo-4-[[6-(1,1-difluoro-2-iodoethyl)-3-pyridinyl]oxy]pyrimidine
CID 140963801
N,N-dimethyl-2-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]aniline
CID 135235795
2-(1,1-difluoro-2-methoxyethyl)-5-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]pyridine
CID 135235764
5-ethoxy-2-(trifluoromethyl)pyridine
CID 126758289
5-(3-methoxy-5-pyrrolidin-1-ylphenoxy)-2-(trifluoromethyl)pyridine
CID 177185793
3-(2,3-dihydro-1-benzofuran-7-yl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyridine
CID 126714555
4-[4-(trifluoromethyl)phenoxy]pyrimidin-5-amine
CID 79917598

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxycyclohexa-1,3-dien-1-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine?
The IUPAC name of 5-(2-methoxycyclohexa-1,3-dien-1-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine (CID 135246573) is 5-(2-methoxycyclohexa-1,3-dien-1-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine.
What is the SMILES notation for 5-(2-methoxycyclohexa-1,3-dien-1-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine?
The canonical SMILES for 5-(2-methoxycyclohexa-1,3-dien-1-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine is COC1=C(c2cncnc2Oc2ccc(C(F)(F)F)nc2)CCC=C1.
What is the InChIKey of 5-(2-methoxycyclohexa-1,3-dien-1-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine?
The InChIKey is JYWFEZDYXBZZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2/c1-24-14-5-3-2-4-12(14)13-9-21-10-23-16(13)25-11-6-7-15(22-8-11)17(18,19)20/h3,5-10H,2,4H2,1H3.
What are the key properties of 5-(2-methoxycyclohexa-1,3-dien-1-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine?
5-(2-methoxycyclohexa-1,3-dien-1-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine has a molecular weight of 349.31 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxycyclohexa-1,3-dien-1-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine is sourced from PubChem (CID 135246573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).