3-[2-fluoro-4-methyl-5-(2-methylphenoxy)phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione

C19H14F4N2O3 — CID 156716041

IUPAC3-[2-fluoro-4-methyl-5-(2-methylphenoxy)phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
SMILESCc1ccccc1Oc1cc(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)c(F)cc1C
InChIInChI=1S/C19H14F4N2O3/c1-10-5-3-4-6-14(10)28-15-8-13(12(20)7-11(15)2)25-17(26)9-16(19(21,22)23)24-18(25)27/h3-9H,1-2H3,(H,24,27)
InChIKeyWLUPQTKPKBLULM-UHFFFAOYSA-N
MW394.32 g/mol
LogP4.09
Rot. Bonds3

About 3-[2-fluoro-4-methyl-5-(2-methylphenoxy)phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione

3-[2-fluoro-4-methyl-5-(2-methylphenoxy)phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione (PubChem CID 156716041) has the molecular formula C19H14F4N2O3 and a molecular weight of 394.32 g/mol. Its IUPAC name is 3-[2-fluoro-4-methyl-5-(2-methylphenoxy)phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[2-fluoro-4-methyl-5-(2-methylphenoxy)phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
PubChem CID156716041
Molecular FormulaC19H14F4N2O3
Molecular Weight394.32 g/mol
Exact Mass394.09
IUPAC Name3-[2-fluoro-4-methyl-5-(2-methylphenoxy)phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
SMILESCc1ccccc1Oc1cc(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)c(F)cc1C
InChIInChI=1S/C19H14F4N2O3/c1-10-5-3-4-6-14(10)28-15-8-13(12(20)7-11(15)2)25-17(26)9-16(19(21,22)23)24-18(25)27/h3-9H,1-2H3,(H,24,27)
InChIKeyWLUPQTKPKBLULM-UHFFFAOYSA-N
XLogP4.09
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.32
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-4-methyl-5-(2-methylphenoxy)phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-[2-fluoro-4-methyl-5-(2-methylphenoxy)phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione (CID 156716041) is 3-[2-fluoro-4-methyl-5-(2-methylphenoxy)phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-[2-fluoro-4-methyl-5-(2-methylphenoxy)phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-[2-fluoro-4-methyl-5-(2-methylphenoxy)phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione is Cc1ccccc1Oc1cc(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)c(F)cc1C.
What is the InChIKey of 3-[2-fluoro-4-methyl-5-(2-methylphenoxy)phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is WLUPQTKPKBLULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F4N2O3/c1-10-5-3-4-6-14(10)28-15-8-13(12(20)7-11(15)2)25-17(26)9-16(19(21,22)23)24-18(25)27/h3-9H,1-2H3,(H,24,27).
What are the key properties of 3-[2-fluoro-4-methyl-5-(2-methylphenoxy)phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
3-[2-fluoro-4-methyl-5-(2-methylphenoxy)phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 394.32 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-4-methyl-5-(2-methylphenoxy)phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 156716041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).