1-(4-fluorophenyl)-5-methylpyrimidine-2,4-dione

C11H9FN2O2 — CID 54338636

IUPAC1-(4-fluorophenyl)-5-methylpyrimidine-2,4-dione
SMILESCc1cn(-c2ccc(F)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C11H9FN2O2/c1-7-6-14(11(16)13-10(7)15)9-4-2-8(12)3-5-9/h2-6H,1H3,(H,13,15,16)
InChIKeyTXIDGXPOQRNGLA-UHFFFAOYSA-N
MW220.20 g/mol
LogP0.97
Rot. Bonds1

About 1-(4-fluorophenyl)-5-methylpyrimidine-2,4-dione

1-(4-fluorophenyl)-5-methylpyrimidine-2,4-dione (PubChem CID 54338636) has the molecular formula C11H9FN2O2 and a molecular weight of 220.20 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-methylpyrimidine-2,4-dione
PubChem CID54338636
Molecular FormulaC11H9FN2O2
Molecular Weight220.20 g/mol
Exact Mass220.06
IUPAC Name1-(4-fluorophenyl)-5-methylpyrimidine-2,4-dione
SMILESCc1cn(-c2ccc(F)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C11H9FN2O2/c1-7-6-14(11(16)13-10(7)15)9-4-2-8(12)3-5-9/h2-6H,1H3,(H,13,15,16)
InChIKeyTXIDGXPOQRNGLA-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 1-(4-fluorophenyl)-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-(4-fluorophenyl)-5-methylpyrimidine-2,4-dione (CID 54338636) is 1-(4-fluorophenyl)-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-(4-fluorophenyl)-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-(4-fluorophenyl)-5-methylpyrimidine-2,4-dione is Cc1cn(-c2ccc(F)cc2)c(=O)[nH]c1=O.
What is the InChIKey of 1-(4-fluorophenyl)-5-methylpyrimidine-2,4-dione?
The InChIKey is TXIDGXPOQRNGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2/c1-7-6-14(11(16)13-10(7)15)9-4-2-8(12)3-5-9/h2-6H,1H3,(H,13,15,16).
What are the key properties of 1-(4-fluorophenyl)-5-methylpyrimidine-2,4-dione?
1-(4-fluorophenyl)-5-methylpyrimidine-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 1-(4-fluorophenyl)-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 54338636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).