5-fluoro-1H-pyrimidine-2,4-dione

C4H3FN2O2 — CID 3385

💊View drug profile → fluorouracil
IUPAC5-fluoro-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(F)c(=O)[nH]1
InChIInChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)
InChIKeyGHASVSINZRGABV-UHFFFAOYSA-N
MW130.08 g/mol
LogP-0.80
Rot. Bonds

About 5-fluoro-1H-pyrimidine-2,4-dione

5-fluoro-1H-pyrimidine-2,4-dione (PubChem CID 3385) has the molecular formula C4H3FN2O2 and a molecular weight of 130.08 g/mol. Its IUPAC name is 5-fluoro-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1H-pyrimidine-2,4-dione
PubChem CID3385
Molecular FormulaC4H3FN2O2
Molecular Weight130.08 g/mol
Exact Mass130.02
IUPAC Name5-fluoro-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(F)c(=O)[nH]1
InChIInChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)
InChIKeyGHASVSINZRGABV-UHFFFAOYSA-N
XLogP-0.80
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.08
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-fluoro-1H-pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Uracil
CID 1174
5-Bromouracil
CID 5802
5-Iodouracil
CID 69672
Trifluoromethyluracil
CID 5899
5-Chlorouracil
CID 15758
5-Fluoro-1,3-dimethyluracil
CID 342609
5-Fluoro-1-(prop-2-yn-1-yl)pyrimidine-2,4(1h,3h)-dione
CID 489887
5-Fluoro-1-methyl-2,4(1H,3H)-pyrimidinedione
CID 78957
1(2H)-Pyrimidinecarboxamide, 5-fluoro-3,4-dihydro-N-(1-methylethyl)-2,4-dioxo-
CID 151528
1-Acetyl-5-fluoro-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 277733
5-Mercaptouracil
CID 221085
5-Fluoro-3-methylpyrimidine-2,4(1H,3H)-dione
CID 330104

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1H-pyrimidine-2,4-dione (CID 3385) is 5-fluoro-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1H-pyrimidine-2,4-dione is O=c1[nH]cc(F)c(=O)[nH]1.
What is the InChIKey of 5-fluoro-1H-pyrimidine-2,4-dione?
The InChIKey is GHASVSINZRGABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9).
What are the key properties of 5-fluoro-1H-pyrimidine-2,4-dione?
5-fluoro-1H-pyrimidine-2,4-dione has a molecular weight of 130.08 g/mol, XLogP of -0.80, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 3385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).