3-(4-fluorophenyl)-5-methyl-1H-pyrimidine-2,4-dione

C11H9FN2O2 — CID 54496861

IUPAC3-(4-fluorophenyl)-5-methyl-1H-pyrimidine-2,4-dione
SMILESCc1c[nH]c(=O)n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C11H9FN2O2/c1-7-6-13-11(16)14(10(7)15)9-4-2-8(12)3-5-9/h2-6H,1H3,(H,13,16)
InChIKeyXZSMMBREXACMOX-UHFFFAOYSA-N
MW220.20 g/mol
LogP0.97
Rot. Bonds1

About 3-(4-fluorophenyl)-5-methyl-1H-pyrimidine-2,4-dione

3-(4-fluorophenyl)-5-methyl-1H-pyrimidine-2,4-dione (PubChem CID 54496861) has the molecular formula C11H9FN2O2 and a molecular weight of 220.20 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-methyl-1H-pyrimidine-2,4-dione
PubChem CID54496861
Molecular FormulaC11H9FN2O2
Molecular Weight220.20 g/mol
Exact Mass220.06
IUPAC Name3-(4-fluorophenyl)-5-methyl-1H-pyrimidine-2,4-dione
SMILESCc1c[nH]c(=O)n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C11H9FN2O2/c1-7-6-13-11(16)14(10(7)15)9-4-2-8(12)3-5-9/h2-6H,1H3,(H,13,16)
InChIKeyXZSMMBREXACMOX-UHFFFAOYSA-N
XLogP0.97
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-(4-fluorophenyl)-5-methyl-1H-pyrimidine-2,4-dione (CID 54496861) is 3-(4-fluorophenyl)-5-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-(4-fluorophenyl)-5-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-(4-fluorophenyl)-5-methyl-1H-pyrimidine-2,4-dione is Cc1c[nH]c(=O)n(-c2ccc(F)cc2)c1=O.
What is the InChIKey of 3-(4-fluorophenyl)-5-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is XZSMMBREXACMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2/c1-7-6-13-11(16)14(10(7)15)9-4-2-8(12)3-5-9/h2-6H,1H3,(H,13,16).
What are the key properties of 3-(4-fluorophenyl)-5-methyl-1H-pyrimidine-2,4-dione?
3-(4-fluorophenyl)-5-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 220.20 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 54496861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).