5-fluoro-1-[(1R,2R,3R)-1,2,4-trihydroxy-3-methoxybutyl]pyrimidine-2,4-dione

C9H13FN2O6 — CID 156523096

IUPAC5-fluoro-1-[(1R,2R,3R)-1,2,4-trihydroxy-3-methoxybutyl]pyrimidine-2,4-dione
SMILESCO[C@H](CO)[C@@H](O)[C@@H](O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C9H13FN2O6/c1-18-5(3-13)6(14)8(16)12-2-4(10)7(15)11-9(12)17/h2,5-6,8,13-14,16H,3H2,1H3,(H,11,15,17)/t5-,6-,8-/m1/s1
InChIKeySYXPWUYBJMFTIE-ATRFCDNQSA-N
MW264.21 g/mol
LogP-2.47
Rot. Bonds5

About 5-fluoro-1-[(1R,2R,3R)-1,2,4-trihydroxy-3-methoxybutyl]pyrimidine-2,4-dione

5-fluoro-1-[(1R,2R,3R)-1,2,4-trihydroxy-3-methoxybutyl]pyrimidine-2,4-dione (PubChem CID 156523096) has the molecular formula C9H13FN2O6 and a molecular weight of 264.21 g/mol. Its IUPAC name is 5-fluoro-1-[(1R,2R,3R)-1,2,4-trihydroxy-3-methoxybutyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-[(1R,2R,3R)-1,2,4-trihydroxy-3-methoxybutyl]pyrimidine-2,4-dione
PubChem CID156523096
Molecular FormulaC9H13FN2O6
Molecular Weight264.21 g/mol
Exact Mass264.08
IUPAC Name5-fluoro-1-[(1R,2R,3R)-1,2,4-trihydroxy-3-methoxybutyl]pyrimidine-2,4-dione
SMILESCO[C@H](CO)[C@@H](O)[C@@H](O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C9H13FN2O6/c1-18-5(3-13)6(14)8(16)12-2-4(10)7(15)11-9(12)17/h2,5-6,8,13-14,16H,3H2,1H3,(H,11,15,17)/t5-,6-,8-/m1/s1
InChIKeySYXPWUYBJMFTIE-ATRFCDNQSA-N
XLogP-2.47
TPSA124.78 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 5-2.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 5-fluoro-1-[(1R,2R,3R)-1,2,4-trihydroxy-3-methoxybutyl]pyrimidine-2,4-dione with MolForge

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Related Compounds

1-(1,3-dihydroxypropan-2-yl)-5-fluoropyrimidine-2,4-dione
CID 10726860
1-(2,3-dihydroxy-3-methoxypropyl)-5-fluoropyrimidine-2,4-dione
CID 70515654
1-[(1S)-1-ethoxyethyl]-5-fluoropyrimidine-2,4-dione
CID 712428
1-(1,3-dihydroxypropan-2-yloxymethyl)-5-fluoropyrimidine-2,4-dione
CID 3010090
5-fluoro-1-[1-[(2-methylpropan-2-yl)oxy]propyl]pyrimidine-2,4-dione
CID 121459566
5-fluoro-1-[4-(2-hydroxyphenyl)-1-methoxybutyl]pyrimidine-2,4-dione
CID 90731633
5-fluoro-1-[2-hydroxyethoxy-(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-dione
CID 15583556
5-fluoro-1-methoxypyrimidine-2,4-dione
CID 164899020
5-fluoro-1-(1-prop-2-enoxypropyl)pyrimidine-2,4-dione
CID 15060444
methyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate
CID 637881
1-(3-chloro-2-hydroxypropyl)-5-fluoropyrimidine-2,4-dione
CID 3869192
1-[(2R,3R)-3-fluoro-4,6-dihydroxy-5-methoxy-3-methylhexan-2-yl]pyrimidine-2,4-dione
CID 126692786

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[(1R,2R,3R)-1,2,4-trihydroxy-3-methoxybutyl]pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-[(1R,2R,3R)-1,2,4-trihydroxy-3-methoxybutyl]pyrimidine-2,4-dione (CID 156523096) is 5-fluoro-1-[(1R,2R,3R)-1,2,4-trihydroxy-3-methoxybutyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-[(1R,2R,3R)-1,2,4-trihydroxy-3-methoxybutyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-[(1R,2R,3R)-1,2,4-trihydroxy-3-methoxybutyl]pyrimidine-2,4-dione is CO[C@H](CO)[C@@H](O)[C@@H](O)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 5-fluoro-1-[(1R,2R,3R)-1,2,4-trihydroxy-3-methoxybutyl]pyrimidine-2,4-dione?
The InChIKey is SYXPWUYBJMFTIE-ATRFCDNQSA-N. The full InChI is InChI=1S/C9H13FN2O6/c1-18-5(3-13)6(14)8(16)12-2-4(10)7(15)11-9(12)17/h2,5-6,8,13-14,16H,3H2,1H3,(H,11,15,17)/t5-,6-,8-/m1/s1.
What are the key properties of 5-fluoro-1-[(1R,2R,3R)-1,2,4-trihydroxy-3-methoxybutyl]pyrimidine-2,4-dione?
5-fluoro-1-[(1R,2R,3R)-1,2,4-trihydroxy-3-methoxybutyl]pyrimidine-2,4-dione has a molecular weight of 264.21 g/mol, XLogP of -2.47, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[(1R,2R,3R)-1,2,4-trihydroxy-3-methoxybutyl]pyrimidine-2,4-dione is sourced from PubChem (CID 156523096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).