5-fluoro-1-(3-methoxy-2-oxopropyl)pyrimidine-2,4-dione

C8H9FN2O4 — CID 107507774

IUPAC5-fluoro-1-(3-methoxy-2-oxopropyl)pyrimidine-2,4-dione
SMILESCOCC(=O)Cn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C8H9FN2O4/c1-15-4-5(12)2-11-3-6(9)7(13)10-8(11)14/h3H,2,4H2,1H3,(H,10,13,14)
InChIKeyPWQRSUBHRDUILV-UHFFFAOYSA-N
MW216.17 g/mol
LogP-1.11
Rot. Bonds4

About 5-fluoro-1-(3-methoxy-2-oxopropyl)pyrimidine-2,4-dione

5-fluoro-1-(3-methoxy-2-oxopropyl)pyrimidine-2,4-dione (PubChem CID 107507774) has the molecular formula C8H9FN2O4 and a molecular weight of 216.17 g/mol. Its IUPAC name is 5-fluoro-1-(3-methoxy-2-oxopropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-(3-methoxy-2-oxopropyl)pyrimidine-2,4-dione
PubChem CID107507774
Molecular FormulaC8H9FN2O4
Molecular Weight216.17 g/mol
Exact Mass216.05
IUPAC Name5-fluoro-1-(3-methoxy-2-oxopropyl)pyrimidine-2,4-dione
SMILESCOCC(=O)Cn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C8H9FN2O4/c1-15-4-5(12)2-11-3-6(9)7(13)10-8(11)14/h3H,2,4H2,1H3,(H,10,13,14)
InChIKeyPWQRSUBHRDUILV-UHFFFAOYSA-N
XLogP-1.11
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.17
LogP ≤ 5-1.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate
CID 637881
5-fluoro-1-(2-oxo-3-phenylpropyl)pyrimidine-2,4-dione
CID 55219097
1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-fluoropyrimidine-2,4-dione
CID 60734724
5-fluoro-1-[2-(4-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 60734863
5-fluoro-1-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]pyrimidine-2,4-dione
CID 55027813
(5-fluoro-2,4-dioxopyrimidin-1-yl)methylurea
CID 70581549
5-fluoro-1-[2-(3-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 63558385
1-(2,3-dihydroxy-3-methoxypropyl)-5-fluoropyrimidine-2,4-dione
CID 70515654
2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-(2-hydroxy-5-methoxyphenyl)acetamide
CID 169086181
5-fluoro-1-methoxypyrimidine-2,4-dione
CID 164899020
(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl prop-1-en-2-yl carbonate
CID 10377149
ethyl 4-(5-fluoro-2,4-dioxopyrimidin-1-yl)butanoate
CID 14551426

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(3-methoxy-2-oxopropyl)pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-(3-methoxy-2-oxopropyl)pyrimidine-2,4-dione (CID 107507774) is 5-fluoro-1-(3-methoxy-2-oxopropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-(3-methoxy-2-oxopropyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-(3-methoxy-2-oxopropyl)pyrimidine-2,4-dione is COCC(=O)Cn1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 5-fluoro-1-(3-methoxy-2-oxopropyl)pyrimidine-2,4-dione?
The InChIKey is PWQRSUBHRDUILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O4/c1-15-4-5(12)2-11-3-6(9)7(13)10-8(11)14/h3H,2,4H2,1H3,(H,10,13,14).
What are the key properties of 5-fluoro-1-(3-methoxy-2-oxopropyl)pyrimidine-2,4-dione?
5-fluoro-1-(3-methoxy-2-oxopropyl)pyrimidine-2,4-dione has a molecular weight of 216.17 g/mol, XLogP of -1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(3-methoxy-2-oxopropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 107507774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).