6-[4-[[3-(1-fluoroethoxy)-2-pyridinyl]oxy]-2-methylphenyl]-1,5-dimethylpyrimidine-2,4-dione

C20H20FN3O4 — CID 118231107

IUPAC6-[4-[[3-(1-fluoroethoxy)-2-pyridinyl]oxy]-2-methylphenyl]-1,5-dimethylpyrimidine-2,4-dione
SMILESCc1cc(Oc2ncccc2OC(C)F)ccc1-c1c(C)c(=O)[nH]c(=O)n1C
InChIInChI=1S/C20H20FN3O4/c1-11-10-14(28-19-16(27-13(3)21)6-5-9-22-19)7-8-15(11)17-12(2)18(25)23-20(26)24(17)4/h5-10,13H,1-4H3,(H,23,25,26)
InChIKeyVGUYQKBJFXCLQH-UHFFFAOYSA-N
MW385.40 g/mol
LogP3.24
Rot. Bonds5

About 6-[4-[[3-(1-fluoroethoxy)-2-pyridinyl]oxy]-2-methylphenyl]-1,5-dimethylpyrimidine-2,4-dione

6-[4-[[3-(1-fluoroethoxy)-2-pyridinyl]oxy]-2-methylphenyl]-1,5-dimethylpyrimidine-2,4-dione (PubChem CID 118231107) has the molecular formula C20H20FN3O4 and a molecular weight of 385.40 g/mol. Its IUPAC name is 6-[4-[[3-(1-fluoroethoxy)-2-pyridinyl]oxy]-2-methylphenyl]-1,5-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[4-[[3-(1-fluoroethoxy)-2-pyridinyl]oxy]-2-methylphenyl]-1,5-dimethylpyrimidine-2,4-dione
PubChem CID118231107
Molecular FormulaC20H20FN3O4
Molecular Weight385.40 g/mol
Exact Mass385.14
IUPAC Name6-[4-[[3-(1-fluoroethoxy)-2-pyridinyl]oxy]-2-methylphenyl]-1,5-dimethylpyrimidine-2,4-dione
SMILESCc1cc(Oc2ncccc2OC(C)F)ccc1-c1c(C)c(=O)[nH]c(=O)n1C
InChIInChI=1S/C20H20FN3O4/c1-11-10-14(28-19-16(27-13(3)21)6-5-9-22-19)7-8-15(11)17-12(2)18(25)23-20(26)24(17)4/h5-10,13H,1-4H3,(H,23,25,26)
InChIKeyVGUYQKBJFXCLQH-UHFFFAOYSA-N
XLogP3.24
TPSA86.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[[3-(1-fluoroethoxy)-2-pyridinyl]oxy]-2-methylphenyl]-1,5-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[4-[[3-(1-fluoroethoxy)-2-pyridinyl]oxy]-2-methylphenyl]-1,5-dimethylpyrimidine-2,4-dione (CID 118231107) is 6-[4-[[3-(1-fluoroethoxy)-2-pyridinyl]oxy]-2-methylphenyl]-1,5-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[4-[[3-(1-fluoroethoxy)-2-pyridinyl]oxy]-2-methylphenyl]-1,5-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[4-[[3-(1-fluoroethoxy)-2-pyridinyl]oxy]-2-methylphenyl]-1,5-dimethylpyrimidine-2,4-dione is Cc1cc(Oc2ncccc2OC(C)F)ccc1-c1c(C)c(=O)[nH]c(=O)n1C.
What is the InChIKey of 6-[4-[[3-(1-fluoroethoxy)-2-pyridinyl]oxy]-2-methylphenyl]-1,5-dimethylpyrimidine-2,4-dione?
The InChIKey is VGUYQKBJFXCLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O4/c1-11-10-14(28-19-16(27-13(3)21)6-5-9-22-19)7-8-15(11)17-12(2)18(25)23-20(26)24(17)4/h5-10,13H,1-4H3,(H,23,25,26).
What are the key properties of 6-[4-[[3-(1-fluoroethoxy)-2-pyridinyl]oxy]-2-methylphenyl]-1,5-dimethylpyrimidine-2,4-dione?
6-[4-[[3-(1-fluoroethoxy)-2-pyridinyl]oxy]-2-methylphenyl]-1,5-dimethylpyrimidine-2,4-dione has a molecular weight of 385.40 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[3-(1-fluoroethoxy)-2-pyridinyl]oxy]-2-methylphenyl]-1,5-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 118231107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).