5-fluoro-1-prop-2-enylsilylpyrimidine-2,4-dione

C7H9FN2O2Si — CID 174987921

IUPAC5-fluoro-1-prop-2-enylsilylpyrimidine-2,4-dione
SMILESC=CC[SiH2]n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C7H9FN2O2Si/c1-2-3-13-10-4-5(8)6(11)9-7(10)12/h2,4H,1,3,13H2,(H,9,11,12)
InChIKeyZHTPMWIGKSXCIV-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.79
Rot. Bonds3

About 5-fluoro-1-prop-2-enylsilylpyrimidine-2,4-dione

5-fluoro-1-prop-2-enylsilylpyrimidine-2,4-dione (PubChem CID 174987921) has the molecular formula C7H9FN2O2Si and a molecular weight of 200.24 g/mol. Its IUPAC name is 5-fluoro-1-prop-2-enylsilylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-prop-2-enylsilylpyrimidine-2,4-dione
PubChem CID174987921
Molecular FormulaC7H9FN2O2Si
Molecular Weight200.24 g/mol
Exact Mass200.04
IUPAC Name5-fluoro-1-prop-2-enylsilylpyrimidine-2,4-dione
SMILESC=CC[SiH2]n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C7H9FN2O2Si/c1-2-3-13-10-4-5(8)6(11)9-7(10)12/h2,4H,1,3,13H2,(H,9,11,12)
InChIKeyZHTPMWIGKSXCIV-UHFFFAOYSA-N
XLogP-0.79
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-1-(1-prop-2-enoxypropyl)pyrimidine-2,4-dione
CID 15060444
2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetonitrile
CID 10877537
1-(1,3-dihydroxypropan-2-yl)-5-fluoropyrimidine-2,4-dione
CID 10726860
5-fluoro-1-methoxypyrimidine-2,4-dione
CID 164899020
1-but-2-enyl-5-fluoropyrimidine-2,4-dione;[[(Z)-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)but-2-enyl]-[methyl(oxo)phosphaniumyl]oxyphosphoryl]oxy-methyl-oxophosphanium;[[(E)-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)but-2-enyl]-[methyl(oxo)phosphaniumyl]oxyphosphoryl]oxy-methyl-oxophosphanium;methyl-[[methyl(oxo)phosphaniumyl]oxy-prop-2-enylphosphoryl]oxy-oxophosphanium
CID 162187346
5-fluoro-2,4-dioxopyrimidine-1-carbonyl chloride
CID 14451336
[(E)-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)prop-1-enyl]phosphonic acid
CID 50993719
CID 73212627
CID 73212627
5-fluoro-1-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]pyrimidine-2,4-dione
CID 24786257
methyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate
CID 637881
1-benzyl-5-fluoropyrimidine-2,4-dione;silver
CID 88760858
1-(3-chloro-2-hydroxypropyl)-5-fluoropyrimidine-2,4-dione
CID 3869192

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-prop-2-enylsilylpyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-prop-2-enylsilylpyrimidine-2,4-dione (CID 174987921) is 5-fluoro-1-prop-2-enylsilylpyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-prop-2-enylsilylpyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-prop-2-enylsilylpyrimidine-2,4-dione is C=CC[SiH2]n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 5-fluoro-1-prop-2-enylsilylpyrimidine-2,4-dione?
The InChIKey is ZHTPMWIGKSXCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O2Si/c1-2-3-13-10-4-5(8)6(11)9-7(10)12/h2,4H,1,3,13H2,(H,9,11,12).
What are the key properties of 5-fluoro-1-prop-2-enylsilylpyrimidine-2,4-dione?
5-fluoro-1-prop-2-enylsilylpyrimidine-2,4-dione has a molecular weight of 200.24 g/mol, XLogP of -0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-prop-2-enylsilylpyrimidine-2,4-dione is sourced from PubChem (CID 174987921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).