1-[(E)-5-fluoro-3-(hydroxymethyl)pent-2-enyl]-5-methylpyrimidine-2,4-dione

C11H15FN2O3 — CID 70964470

IUPAC1-[(E)-5-fluoro-3-(hydroxymethyl)pent-2-enyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(C/C=C(/CO)CCF)c(=O)[nH]c1=O
InChIInChI=1S/C11H15FN2O3/c1-8-6-14(11(17)13-10(8)16)5-3-9(7-15)2-4-12/h3,6,15H,2,4-5,7H2,1H3,(H,13,16,17)/b9-3+
InChIKeyUECWMBGAIVXUPM-YCRREMRBSA-N
MW242.25 g/mol
LogP0.12
Rot. Bonds5

About 1-[(E)-5-fluoro-3-(hydroxymethyl)pent-2-enyl]-5-methylpyrimidine-2,4-dione

1-[(E)-5-fluoro-3-(hydroxymethyl)pent-2-enyl]-5-methylpyrimidine-2,4-dione (PubChem CID 70964470) has the molecular formula C11H15FN2O3 and a molecular weight of 242.25 g/mol. Its IUPAC name is 1-[(E)-5-fluoro-3-(hydroxymethyl)pent-2-enyl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(E)-5-fluoro-3-(hydroxymethyl)pent-2-enyl]-5-methylpyrimidine-2,4-dione
PubChem CID70964470
Molecular FormulaC11H15FN2O3
Molecular Weight242.25 g/mol
Exact Mass242.11
IUPAC Name1-[(E)-5-fluoro-3-(hydroxymethyl)pent-2-enyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(C/C=C(/CO)CCF)c(=O)[nH]c1=O
InChIInChI=1S/C11H15FN2O3/c1-8-6-14(11(17)13-10(8)16)5-3-9(7-15)2-4-12/h3,6,15H,2,4-5,7H2,1H3,(H,13,16,17)/b9-3+
InChIKeyUECWMBGAIVXUPM-YCRREMRBSA-N
XLogP0.12
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-but-2-enyl]-5-methylpyrimidine-2,4-dione
CID 65438358
ethyl (Z)-2-fluoro-4-(5-methyl-2,4-dioxopyrimidin-1-yl)but-2-enoate
CID 10083718
1-[(Z)-3-[hydroxymethyl(dimethyl)silyl]prop-2-enyl]-5-methylpyrimidine-2,4-dione
CID 15405094
1-[(2E)-2-(2-hydroxycyclobutylidene)ethyl]-5-methylpyrimidine-2,4-dione
CID 11264529
1-[(2R,3R)-2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butyl]-5-methylpyrimidine-2,4-dione
CID 24752409
1-(3-fluoropropyl)-5-methylpyrimidine-2,4-dione;methoxymethylphosphonous acid
CID 142308782
[(Z)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)but-2-enyl] 2,2-dimethylpropanoate
CID 10978846
methyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate
CID 3757668
potassium trifluoro-[3-(5-methyl-2,4-dioxopyrimidin-1-yl)prop-1-en-2-yl]boranuide
CID 106746423
amino-dimethyl-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]azanium
CID 20676015
5-methyl-1-(2-methylsulfanylethyl)pyrimidine-2,4-dione
CID 20727875
1-(2-ethenoxyethyl)-5-methylpyrimidine-2,4-dione
CID 71327942

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-5-fluoro-3-(hydroxymethyl)pent-2-enyl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(E)-5-fluoro-3-(hydroxymethyl)pent-2-enyl]-5-methylpyrimidine-2,4-dione (CID 70964470) is 1-[(E)-5-fluoro-3-(hydroxymethyl)pent-2-enyl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(E)-5-fluoro-3-(hydroxymethyl)pent-2-enyl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(E)-5-fluoro-3-(hydroxymethyl)pent-2-enyl]-5-methylpyrimidine-2,4-dione is Cc1cn(C/C=C(/CO)CCF)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(E)-5-fluoro-3-(hydroxymethyl)pent-2-enyl]-5-methylpyrimidine-2,4-dione?
The InChIKey is UECWMBGAIVXUPM-YCRREMRBSA-N. The full InChI is InChI=1S/C11H15FN2O3/c1-8-6-14(11(17)13-10(8)16)5-3-9(7-15)2-4-12/h3,6,15H,2,4-5,7H2,1H3,(H,13,16,17)/b9-3+.
What are the key properties of 1-[(E)-5-fluoro-3-(hydroxymethyl)pent-2-enyl]-5-methylpyrimidine-2,4-dione?
1-[(E)-5-fluoro-3-(hydroxymethyl)pent-2-enyl]-5-methylpyrimidine-2,4-dione has a molecular weight of 242.25 g/mol, XLogP of 0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-5-fluoro-3-(hydroxymethyl)pent-2-enyl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 70964470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).