5-(2-fluoroacetyl)-1H-pyrimidine-2,4-dione

C6H5FN2O3 — CID 141083917

IUPAC5-(2-fluoroacetyl)-1H-pyrimidine-2,4-dione
SMILESO=C(CF)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C6H5FN2O3/c7-1-4(10)3-2-8-6(12)9-5(3)11/h2H,1H2,(H2,8,9,11,12)
InChIKeyVJRSKRFTLULZGG-UHFFFAOYSA-N
MW172.11 g/mol
LogP-0.78
Rot. Bonds2

About 5-(2-fluoroacetyl)-1H-pyrimidine-2,4-dione

5-(2-fluoroacetyl)-1H-pyrimidine-2,4-dione (PubChem CID 141083917) has the molecular formula C6H5FN2O3 and a molecular weight of 172.11 g/mol. Its IUPAC name is 5-(2-fluoroacetyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(2-fluoroacetyl)-1H-pyrimidine-2,4-dione
PubChem CID141083917
Molecular FormulaC6H5FN2O3
Molecular Weight172.11 g/mol
Exact Mass172.03
IUPAC Name5-(2-fluoroacetyl)-1H-pyrimidine-2,4-dione
SMILESO=C(CF)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C6H5FN2O3/c7-1-4(10)3-2-8-6(12)9-5(3)11/h2H,1H2,(H2,8,9,11,12)
InChIKeyVJRSKRFTLULZGG-UHFFFAOYSA-N
XLogP-0.78
TPSA82.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.11
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(2-fluoroacetyl)-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

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoroacetyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(2-fluoroacetyl)-1H-pyrimidine-2,4-dione (CID 141083917) is 5-(2-fluoroacetyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(2-fluoroacetyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(2-fluoroacetyl)-1H-pyrimidine-2,4-dione is O=C(CF)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-(2-fluoroacetyl)-1H-pyrimidine-2,4-dione?
The InChIKey is VJRSKRFTLULZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FN2O3/c7-1-4(10)3-2-8-6(12)9-5(3)11/h2H,1H2,(H2,8,9,11,12).
What are the key properties of 5-(2-fluoroacetyl)-1H-pyrimidine-2,4-dione?
5-(2-fluoroacetyl)-1H-pyrimidine-2,4-dione has a molecular weight of 172.11 g/mol, XLogP of -0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoroacetyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 141083917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).