3-[2-fluoro-5-[(2-propoxy-3-pyridinyl)oxy]phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione

C19H15F4N3O4 — CID 153426107

IUPAC3-[2-fluoro-5-[(2-propoxy-3-pyridinyl)oxy]phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
SMILESCCCOc1ncccc1Oc1ccc(F)c(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)c1
InChIInChI=1S/C19H15F4N3O4/c1-2-8-29-17-14(4-3-7-24-17)30-11-5-6-12(20)13(9-11)26-16(27)10-15(19(21,22)23)25-18(26)28/h3-7,9-10H,2,8H2,1H3,(H,25,28)
InChIKeyLAUXQOCYGFUIPG-UHFFFAOYSA-N
MW425.34 g/mol
LogP3.66
Rot. Bonds6

About 3-[2-fluoro-5-[(2-propoxy-3-pyridinyl)oxy]phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione

3-[2-fluoro-5-[(2-propoxy-3-pyridinyl)oxy]phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione (PubChem CID 153426107) has the molecular formula C19H15F4N3O4 and a molecular weight of 425.34 g/mol. Its IUPAC name is 3-[2-fluoro-5-[(2-propoxy-3-pyridinyl)oxy]phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[2-fluoro-5-[(2-propoxy-3-pyridinyl)oxy]phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
PubChem CID153426107
Molecular FormulaC19H15F4N3O4
Molecular Weight425.34 g/mol
Exact Mass425.10
IUPAC Name3-[2-fluoro-5-[(2-propoxy-3-pyridinyl)oxy]phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
SMILESCCCOc1ncccc1Oc1ccc(F)c(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)c1
InChIInChI=1S/C19H15F4N3O4/c1-2-8-29-17-14(4-3-7-24-17)30-11-5-6-12(20)13(9-11)26-16(27)10-15(19(21,22)23)25-18(26)28/h3-7,9-10H,2,8H2,1H3,(H,25,28)
InChIKeyLAUXQOCYGFUIPG-UHFFFAOYSA-N
XLogP3.66
TPSA86.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.34
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-fluoro-5-[(2-propoxy-3-pyridinyl)oxy]phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 153426099
3-[2,4-dichloro-6-fluoro-3-[(2-propoxy-3-pyridinyl)oxy]phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 153426098
3-[4-chloro-3-[(2-propoxy-3-pyridinyl)oxy]phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 153426104
ethyl 2-[[3-[2-chloro-5-[2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-4-fluorophenoxy]-2-pyridinyl]oxy]acetate;methane
CID 174637798
methyl 2-[[3-[2-chloro-5-[2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-4-fluorophenoxy]-2-pyridinyl]oxy]acetate
CID 18619210
3-[2-fluoro-4-methyl-5-[(2-propoxy-3-pyridinyl)oxy]phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 153426095
3-[5-(4-aminophenoxy)-4-chloro-2-fluorophenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 18403007
CID 158665814
CID 158665814
methyl 2-[4-[2-cyano-5-[2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-4-fluorophenoxy]phenoxy]acetate
CID 23523829
3-[4-chloro-2-fluoro-5-[(6-fluoro-2-pyridinyl)oxy]phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 12056185
[2-[2-chloro-5-[2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-4-fluorophenoxy]phenyl] ethaneperoxoate
CID 23160431
3-[4-chloro-2-fluoro-5-[[2-(2-oxopropoxy)-3-pyridinyl]oxy]phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 123207843

Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-5-[(2-propoxy-3-pyridinyl)oxy]phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-[2-fluoro-5-[(2-propoxy-3-pyridinyl)oxy]phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione (CID 153426107) is 3-[2-fluoro-5-[(2-propoxy-3-pyridinyl)oxy]phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-[2-fluoro-5-[(2-propoxy-3-pyridinyl)oxy]phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-[2-fluoro-5-[(2-propoxy-3-pyridinyl)oxy]phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione is CCCOc1ncccc1Oc1ccc(F)c(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)c1.
What is the InChIKey of 3-[2-fluoro-5-[(2-propoxy-3-pyridinyl)oxy]phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is LAUXQOCYGFUIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F4N3O4/c1-2-8-29-17-14(4-3-7-24-17)30-11-5-6-12(20)13(9-11)26-16(27)10-15(19(21,22)23)25-18(26)28/h3-7,9-10H,2,8H2,1H3,(H,25,28).
What are the key properties of 3-[2-fluoro-5-[(2-propoxy-3-pyridinyl)oxy]phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
3-[2-fluoro-5-[(2-propoxy-3-pyridinyl)oxy]phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 425.34 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-5-[(2-propoxy-3-pyridinyl)oxy]phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 153426107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).