1-benzyl-5-fluoropyrimidine-2,4-dione

C11H9FN2O2 — CID 563429

IUPAC1-benzyl-5-fluoropyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2ccccc2)cc1F
InChIInChI=1S/C11H9FN2O2/c12-9-7-14(11(16)13-10(9)15)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,15,16)
InChIKeyDOLBESUBPIZBQY-UHFFFAOYSA-N
MW220.20 g/mol
LogP0.72
Rot. Bonds2

About 1-benzyl-5-fluoropyrimidine-2,4-dione

1-benzyl-5-fluoropyrimidine-2,4-dione (PubChem CID 563429) has the molecular formula C11H9FN2O2 and a molecular weight of 220.20 g/mol. Its IUPAC name is 1-benzyl-5-fluoropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-benzyl-5-fluoropyrimidine-2,4-dione
PubChem CID563429
Molecular FormulaC11H9FN2O2
Molecular Weight220.20 g/mol
Exact Mass220.06
IUPAC Name1-benzyl-5-fluoropyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2ccccc2)cc1F
InChIInChI=1S/C11H9FN2O2/c12-9-7-14(11(16)13-10(9)15)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,15,16)
InChIKeyDOLBESUBPIZBQY-UHFFFAOYSA-N
XLogP0.72
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-fluoropyrimidine-2,4-dione?
The IUPAC name of 1-benzyl-5-fluoropyrimidine-2,4-dione (CID 563429) is 1-benzyl-5-fluoropyrimidine-2,4-dione.
What is the SMILES notation for 1-benzyl-5-fluoropyrimidine-2,4-dione?
The canonical SMILES for 1-benzyl-5-fluoropyrimidine-2,4-dione is O=c1[nH]c(=O)n(Cc2ccccc2)cc1F.
What is the InChIKey of 1-benzyl-5-fluoropyrimidine-2,4-dione?
The InChIKey is DOLBESUBPIZBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2/c12-9-7-14(11(16)13-10(9)15)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,15,16).
What are the key properties of 1-benzyl-5-fluoropyrimidine-2,4-dione?
1-benzyl-5-fluoropyrimidine-2,4-dione has a molecular weight of 220.20 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-fluoropyrimidine-2,4-dione is sourced from PubChem (CID 563429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).