5-fluoro-1-(2-hydroxyoctyl)pyrimidine-2,4-dione

C12H19FN2O3 — CID 11322863

IUPAC5-fluoro-1-(2-hydroxyoctyl)pyrimidine-2,4-dione
SMILESCCCCCCC(O)Cn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C12H19FN2O3/c1-2-3-4-5-6-9(16)7-15-8-10(13)11(17)14-12(15)18/h8-9,16H,2-7H2,1H3,(H,14,17,18)
InChIKeyTVUDFNLYJIFYPY-UHFFFAOYSA-N
MW258.29 g/mol
LogP1.01
Rot. Bonds7

About 5-fluoro-1-(2-hydroxyoctyl)pyrimidine-2,4-dione

5-fluoro-1-(2-hydroxyoctyl)pyrimidine-2,4-dione (PubChem CID 11322863) has the molecular formula C12H19FN2O3 and a molecular weight of 258.29 g/mol. Its IUPAC name is 5-fluoro-1-(2-hydroxyoctyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-(2-hydroxyoctyl)pyrimidine-2,4-dione
PubChem CID11322863
Molecular FormulaC12H19FN2O3
Molecular Weight258.29 g/mol
Exact Mass258.14
IUPAC Name5-fluoro-1-(2-hydroxyoctyl)pyrimidine-2,4-dione
SMILESCCCCCCC(O)Cn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C12H19FN2O3/c1-2-3-4-5-6-9(16)7-15-8-10(13)11(17)14-12(15)18/h8-9,16H,2-7H2,1H3,(H,14,17,18)
InChIKeyTVUDFNLYJIFYPY-UHFFFAOYSA-N
XLogP1.01
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloro-2-hydroxypropyl)-5-fluoropyrimidine-2,4-dione
CID 3869192
(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl heptanoate
CID 13014276
1-(2,3-dihydroxy-3-methoxypropyl)-5-fluoropyrimidine-2,4-dione
CID 70515654
1-(3,3-diethoxypropyl)-5-fluoropyrimidine-2,4-dione
CID 63629471
(5-fluoro-2,4-dioxopyrimidin-1-yl) N-hexadecyl-N-methylcarbamate
CID 172693375
ethyl 4-(5-fluoro-2,4-dioxopyrimidin-1-yl)butanoate
CID 14551426
N-[4-(5-fluoro-2,4-dioxopyrimidin-1-yl)phenyl]tetradecanamide
CID 175478497
N-[4-(5-fluoro-2,4-dioxopyrimidin-1-yl)phenyl]hexadecanamide
CID 175478487
2-[(2S)-2-hydroxyoctyl]isoindole-1,3-dione
CID 102589808
(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl prop-1-en-2-yl carbonate
CID 10377149
(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 6-aminohexanoate
CID 15172520
1-[(2R,3R)-2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butyl]-5-methylpyrimidine-2,4-dione
CID 24752409

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(2-hydroxyoctyl)pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-(2-hydroxyoctyl)pyrimidine-2,4-dione (CID 11322863) is 5-fluoro-1-(2-hydroxyoctyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-(2-hydroxyoctyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-(2-hydroxyoctyl)pyrimidine-2,4-dione is CCCCCCC(O)Cn1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 5-fluoro-1-(2-hydroxyoctyl)pyrimidine-2,4-dione?
The InChIKey is TVUDFNLYJIFYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O3/c1-2-3-4-5-6-9(16)7-15-8-10(13)11(17)14-12(15)18/h8-9,16H,2-7H2,1H3,(H,14,17,18).
What are the key properties of 5-fluoro-1-(2-hydroxyoctyl)pyrimidine-2,4-dione?
5-fluoro-1-(2-hydroxyoctyl)pyrimidine-2,4-dione has a molecular weight of 258.29 g/mol, XLogP of 1.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(2-hydroxyoctyl)pyrimidine-2,4-dione is sourced from PubChem (CID 11322863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).