5-[(2S,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methylpyrrolidin-2-yl]-1H-pyrimidine-2,4-dione

C10H14FN3O4 — CID 90176329

IUPAC5-[(2S,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methylpyrrolidin-2-yl]-1H-pyrimidine-2,4-dione
SMILESC[C@@]1(F)[C@H](O)[C@@H](CO)N[C@H]1c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H14FN3O4/c1-10(11)6(13-5(3-15)7(10)16)4-2-12-9(18)14-8(4)17/h2,5-7,13,15-16H,3H2,1H3,(H2,12,14,17,18)/t5-,6+,7-,10+/m1/s1
InChIKeyUKPQVYABDKNRIA-LGVNZDMBSA-N
MW259.24 g/mol
LogP-1.84
Rot. Bonds2

About 5-[(2S,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methylpyrrolidin-2-yl]-1H-pyrimidine-2,4-dione

5-[(2S,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methylpyrrolidin-2-yl]-1H-pyrimidine-2,4-dione (PubChem CID 90176329) has the molecular formula C10H14FN3O4 and a molecular weight of 259.24 g/mol. Its IUPAC name is 5-[(2S,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methylpyrrolidin-2-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(2S,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methylpyrrolidin-2-yl]-1H-pyrimidine-2,4-dione
PubChem CID90176329
Molecular FormulaC10H14FN3O4
Molecular Weight259.24 g/mol
Exact Mass259.10
IUPAC Name5-[(2S,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methylpyrrolidin-2-yl]-1H-pyrimidine-2,4-dione
SMILESC[C@@]1(F)[C@H](O)[C@@H](CO)N[C@H]1c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H14FN3O4/c1-10(11)6(13-5(3-15)7(10)16)4-2-12-9(18)14-8(4)17/h2,5-7,13,15-16H,3H2,1H3,(H2,12,14,17,18)/t5-,6+,7-,10+/m1/s1
InChIKeyUKPQVYABDKNRIA-LGVNZDMBSA-N
XLogP-1.84
TPSA118.21 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 5-1.84
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2S,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methylpyrrolidin-2-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(2S,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methylpyrrolidin-2-yl]-1H-pyrimidine-2,4-dione (CID 90176329) is 5-[(2S,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methylpyrrolidin-2-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(2S,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methylpyrrolidin-2-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(2S,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methylpyrrolidin-2-yl]-1H-pyrimidine-2,4-dione is C[C@@]1(F)[C@H](O)[C@@H](CO)N[C@H]1c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-[(2S,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methylpyrrolidin-2-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is UKPQVYABDKNRIA-LGVNZDMBSA-N. The full InChI is InChI=1S/C10H14FN3O4/c1-10(11)6(13-5(3-15)7(10)16)4-2-12-9(18)14-8(4)17/h2,5-7,13,15-16H,3H2,1H3,(H2,12,14,17,18)/t5-,6+,7-,10+/m1/s1.
What are the key properties of 5-[(2S,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methylpyrrolidin-2-yl]-1H-pyrimidine-2,4-dione?
5-[(2S,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methylpyrrolidin-2-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 259.24 g/mol, XLogP of -1.84, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methylpyrrolidin-2-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 90176329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).