5-fluoro-6-(2-methylprop-2-enoyl)-1H-pyrimidine-2,4-dione

C8H7FN2O3 — CID 150251353

IUPAC5-fluoro-6-(2-methylprop-2-enoyl)-1H-pyrimidine-2,4-dione
SMILESC=C(C)C(=O)c1[nH]c(=O)[nH]c(=O)c1F
InChIInChI=1S/C8H7FN2O3/c1-3(2)6(12)5-4(9)7(13)11-8(14)10-5/h1H2,2H3,(H2,10,11,13,14)
InChIKeyFZPVYXFRFMQBCK-UHFFFAOYSA-N
MW198.15 g/mol
LogP-0.04
Rot. Bonds2

About 5-fluoro-6-(2-methylprop-2-enoyl)-1H-pyrimidine-2,4-dione

5-fluoro-6-(2-methylprop-2-enoyl)-1H-pyrimidine-2,4-dione (PubChem CID 150251353) has the molecular formula C8H7FN2O3 and a molecular weight of 198.15 g/mol. Its IUPAC name is 5-fluoro-6-(2-methylprop-2-enoyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-6-(2-methylprop-2-enoyl)-1H-pyrimidine-2,4-dione
PubChem CID150251353
Molecular FormulaC8H7FN2O3
Molecular Weight198.15 g/mol
Exact Mass198.04
IUPAC Name5-fluoro-6-(2-methylprop-2-enoyl)-1H-pyrimidine-2,4-dione
SMILESC=C(C)C(=O)c1[nH]c(=O)[nH]c(=O)c1F
InChIInChI=1S/C8H7FN2O3/c1-3(2)6(12)5-4(9)7(13)11-8(14)10-5/h1H2,2H3,(H2,10,11,13,14)
InChIKeyFZPVYXFRFMQBCK-UHFFFAOYSA-N
XLogP-0.04
TPSA82.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.15
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-(2-methylprop-2-enoyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-6-(2-methylprop-2-enoyl)-1H-pyrimidine-2,4-dione (CID 150251353) is 5-fluoro-6-(2-methylprop-2-enoyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-6-(2-methylprop-2-enoyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-6-(2-methylprop-2-enoyl)-1H-pyrimidine-2,4-dione is C=C(C)C(=O)c1[nH]c(=O)[nH]c(=O)c1F.
What is the InChIKey of 5-fluoro-6-(2-methylprop-2-enoyl)-1H-pyrimidine-2,4-dione?
The InChIKey is FZPVYXFRFMQBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2O3/c1-3(2)6(12)5-4(9)7(13)11-8(14)10-5/h1H2,2H3,(H2,10,11,13,14).
What are the key properties of 5-fluoro-6-(2-methylprop-2-enoyl)-1H-pyrimidine-2,4-dione?
5-fluoro-6-(2-methylprop-2-enoyl)-1H-pyrimidine-2,4-dione has a molecular weight of 198.15 g/mol, XLogP of -0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-(2-methylprop-2-enoyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 150251353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).