5-(4-fluorophenyl)-1,3-dimethylpyrimidine-2,4-dione

C12H11FN2O2 — CID 71344342

IUPAC5-(4-fluorophenyl)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(-c2ccc(F)cc2)c(=O)n(C)c1=O
InChIInChI=1S/C12H11FN2O2/c1-14-7-10(11(16)15(2)12(14)17)8-3-5-9(13)6-4-8/h3-7H,1-2H3
InChIKeyBWAACCKHAOIMPC-UHFFFAOYSA-N
MW234.23 g/mol
LogP0.89
Rot. Bonds1

About 5-(4-fluorophenyl)-1,3-dimethylpyrimidine-2,4-dione

5-(4-fluorophenyl)-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 71344342) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(4-fluorophenyl)-1,3-dimethylpyrimidine-2,4-dione
PubChem CID71344342
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Name5-(4-fluorophenyl)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(-c2ccc(F)cc2)c(=O)n(C)c1=O
InChIInChI=1S/C12H11FN2O2/c1-14-7-10(11(16)15(2)12(14)17)8-3-5-9(13)6-4-8/h3-7H,1-2H3
InChIKeyBWAACCKHAOIMPC-UHFFFAOYSA-N
XLogP0.89
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-(4-fluorophenyl)-1,3-dimethylpyrimidine-2,4-dione (CID 71344342) is 5-(4-fluorophenyl)-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-(4-fluorophenyl)-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-(4-fluorophenyl)-1,3-dimethylpyrimidine-2,4-dione is Cn1cc(-c2ccc(F)cc2)c(=O)n(C)c1=O.
What is the InChIKey of 5-(4-fluorophenyl)-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is BWAACCKHAOIMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c1-14-7-10(11(16)15(2)12(14)17)8-3-5-9(13)6-4-8/h3-7H,1-2H3.
What are the key properties of 5-(4-fluorophenyl)-1,3-dimethylpyrimidine-2,4-dione?
5-(4-fluorophenyl)-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 234.23 g/mol, XLogP of 0.89, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 71344342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).