5-fluoro-5-methylpyrimidine-2,4-dione

C5H5FN2O2 — CID 4540465

IUPAC5-fluoro-5-methylpyrimidine-2,4-dione
SMILESCC1(F)C=NC(=O)NC1=O
InChIInChI=1S/C5H5FN2O2/c1-5(6)2-7-4(10)8-3(5)9/h2H,1H3,(H,8,9,10)
InChIKeyNCUZPSWWNRQTTC-UHFFFAOYSA-N
MW144.10 g/mol
LogP0.04
Rot. Bonds

About 5-fluoro-5-methylpyrimidine-2,4-dione

5-fluoro-5-methylpyrimidine-2,4-dione (PubChem CID 4540465) has the molecular formula C5H5FN2O2 and a molecular weight of 144.10 g/mol. Its IUPAC name is 5-fluoro-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-5-methylpyrimidine-2,4-dione
PubChem CID4540465
Molecular FormulaC5H5FN2O2
Molecular Weight144.10 g/mol
Exact Mass144.03
IUPAC Name5-fluoro-5-methylpyrimidine-2,4-dione
SMILESCC1(F)C=NC(=O)NC1=O
InChIInChI=1S/C5H5FN2O2/c1-5(6)2-7-4(10)8-3(5)9/h2H,1H3,(H,8,9,10)
InChIKeyNCUZPSWWNRQTTC-UHFFFAOYSA-N
XLogP0.04
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.10
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-5-methylpyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-5-methylpyrimidine-2,4-dione (CID 4540465) is 5-fluoro-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-5-methylpyrimidine-2,4-dione is CC1(F)C=NC(=O)NC1=O.
What is the InChIKey of 5-fluoro-5-methylpyrimidine-2,4-dione?
The InChIKey is NCUZPSWWNRQTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FN2O2/c1-5(6)2-7-4(10)8-3(5)9/h2H,1H3,(H,8,9,10).
What are the key properties of 5-fluoro-5-methylpyrimidine-2,4-dione?
5-fluoro-5-methylpyrimidine-2,4-dione has a molecular weight of 144.10 g/mol, XLogP of 0.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 4540465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).