6-(4-fluorophenoxy)-1,3-dimethylpyrimidine-2,4-dione

C12H11FN2O3 — CID 23905331

IUPAC6-(4-fluorophenoxy)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(Oc2ccc(F)cc2)cc(=O)n(C)c1=O
InChIInChI=1S/C12H11FN2O3/c1-14-10(16)7-11(15(2)12(14)17)18-9-5-3-8(13)4-6-9/h3-7H,1-2H3
InChIKeyOMCZYQVWRBMLFZ-UHFFFAOYSA-N
MW250.23 g/mol
LogP1.02
Rot. Bonds2

About 6-(4-fluorophenoxy)-1,3-dimethylpyrimidine-2,4-dione

6-(4-fluorophenoxy)-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 23905331) has the molecular formula C12H11FN2O3 and a molecular weight of 250.23 g/mol. Its IUPAC name is 6-(4-fluorophenoxy)-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(4-fluorophenoxy)-1,3-dimethylpyrimidine-2,4-dione
PubChem CID23905331
Molecular FormulaC12H11FN2O3
Molecular Weight250.23 g/mol
Exact Mass250.08
IUPAC Name6-(4-fluorophenoxy)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(Oc2ccc(F)cc2)cc(=O)n(C)c1=O
InChIInChI=1S/C12H11FN2O3/c1-14-10(16)7-11(15(2)12(14)17)18-9-5-3-8(13)4-6-9/h3-7H,1-2H3
InChIKeyOMCZYQVWRBMLFZ-UHFFFAOYSA-N
XLogP1.02
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenoxy)-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-(4-fluorophenoxy)-1,3-dimethylpyrimidine-2,4-dione (CID 23905331) is 6-(4-fluorophenoxy)-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-(4-fluorophenoxy)-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-(4-fluorophenoxy)-1,3-dimethylpyrimidine-2,4-dione is Cn1c(Oc2ccc(F)cc2)cc(=O)n(C)c1=O.
What is the InChIKey of 6-(4-fluorophenoxy)-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is OMCZYQVWRBMLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3/c1-14-10(16)7-11(15(2)12(14)17)18-9-5-3-8(13)4-6-9/h3-7H,1-2H3.
What are the key properties of 6-(4-fluorophenoxy)-1,3-dimethylpyrimidine-2,4-dione?
6-(4-fluorophenoxy)-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 250.23 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenoxy)-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 23905331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).