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

C19H15ClF3N3O4 — CID 153426104

IUPAC3-[4-chloro-3-[(2-propoxy-3-pyridinyl)oxy]phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
SMILESCCCOc1ncccc1Oc1cc(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)ccc1Cl
InChIInChI=1S/C19H15ClF3N3O4/c1-2-8-29-17-13(4-3-7-24-17)30-14-9-11(5-6-12(14)20)26-16(27)10-15(19(21,22)23)25-18(26)28/h3-7,9-10H,2,8H2,1H3,(H,25,28)
InChIKeyARNGTWSXXPOKIE-UHFFFAOYSA-N
MW441.79 g/mol
LogP4.17
Rot. Bonds6

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

3-[4-chloro-3-[(2-propoxy-3-pyridinyl)oxy]phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione (PubChem CID 153426104) has the molecular formula C19H15ClF3N3O4 and a molecular weight of 441.79 g/mol. Its IUPAC name is 3-[4-chloro-3-[(2-propoxy-3-pyridinyl)oxy]phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[4-chloro-3-[(2-propoxy-3-pyridinyl)oxy]phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
PubChem CID153426104
Molecular FormulaC19H15ClF3N3O4
Molecular Weight441.79 g/mol
Exact Mass441.07
IUPAC Name3-[4-chloro-3-[(2-propoxy-3-pyridinyl)oxy]phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
SMILESCCCOc1ncccc1Oc1cc(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)ccc1Cl
InChIInChI=1S/C19H15ClF3N3O4/c1-2-8-29-17-13(4-3-7-24-17)30-14-9-11(5-6-12(14)20)26-16(27)10-15(19(21,22)23)25-18(26)28/h3-7,9-10H,2,8H2,1H3,(H,25,28)
InChIKeyARNGTWSXXPOKIE-UHFFFAOYSA-N
XLogP4.17
TPSA86.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.79
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2,4-dichloro-6-fluoro-3-[(2-propoxy-3-pyridinyl)oxy]phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 153426098
3-[2-fluoro-5-[(2-propoxy-3-pyridinyl)oxy]phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 153426107
methyl 2-[[3-[2-chloro-5-[2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-4-fluorophenoxy]-2-pyridinyl]oxy]acetate
CID 18619210
ethyl 2-[[3-[2-chloro-5-[2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-4-fluorophenoxy]-2-pyridinyl]oxy]acetate;methane
CID 174637798
3-[2-fluoro-4-methyl-5-[(2-propoxy-3-pyridinyl)oxy]phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 153426095
3-[2-fluoro-5-[(2-propoxy-3-pyridinyl)oxy]phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 153426099
4-[2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-2-(2-ethyl-6-methylphenoxy)benzonitrile
CID 156716033
3-(3,5-dichloro-4-methoxyphenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 134115598
3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 10968150
CID 158665814
CID 158665814
3-(4-iodo-3,5-dimethoxyphenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 134115870
[2-[2-chloro-5-[2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-4-fluorophenoxy]phenyl] ethaneperoxoate
CID 23160431

Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-3-[(2-propoxy-3-pyridinyl)oxy]phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-[4-chloro-3-[(2-propoxy-3-pyridinyl)oxy]phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione (CID 153426104) is 3-[4-chloro-3-[(2-propoxy-3-pyridinyl)oxy]phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-[4-chloro-3-[(2-propoxy-3-pyridinyl)oxy]phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-[4-chloro-3-[(2-propoxy-3-pyridinyl)oxy]phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione is CCCOc1ncccc1Oc1cc(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)ccc1Cl.
What is the InChIKey of 3-[4-chloro-3-[(2-propoxy-3-pyridinyl)oxy]phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is ARNGTWSXXPOKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF3N3O4/c1-2-8-29-17-13(4-3-7-24-17)30-14-9-11(5-6-12(14)20)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-[4-chloro-3-[(2-propoxy-3-pyridinyl)oxy]phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
3-[4-chloro-3-[(2-propoxy-3-pyridinyl)oxy]phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 441.79 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-3-[(2-propoxy-3-pyridinyl)oxy]phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 153426104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).