5-chloro-1-[(2R,5S)-5-[fluoro(hydroxy)methyl]oxolan-2-yl]pyrimidine-2,4-dione

C9H10ClFN2O4 — CID 69173347

IUPAC5-chloro-1-[(2R,5S)-5-[fluoro(hydroxy)methyl]oxolan-2-yl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n([C@H]2CC[C@@H](C(O)F)O2)cc1Cl
InChIInChI=1S/C9H10ClFN2O4/c10-4-3-13(9(16)12-8(4)15)6-2-1-5(17-6)7(11)14/h3,5-7,14H,1-2H2,(H,12,15,16)/t5-,6+,7?/m0/s1
InChIKeyGXQKOTUXBAMPBF-GFCOJPQKSA-N
MW264.64 g/mol
LogP0.16
Rot. Bonds2

About 5-chloro-1-[(2R,5S)-5-[fluoro(hydroxy)methyl]oxolan-2-yl]pyrimidine-2,4-dione

5-chloro-1-[(2R,5S)-5-[fluoro(hydroxy)methyl]oxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 69173347) has the molecular formula C9H10ClFN2O4 and a molecular weight of 264.64 g/mol. Its IUPAC name is 5-chloro-1-[(2R,5S)-5-[fluoro(hydroxy)methyl]oxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-chloro-1-[(2R,5S)-5-[fluoro(hydroxy)methyl]oxolan-2-yl]pyrimidine-2,4-dione
PubChem CID69173347
Molecular FormulaC9H10ClFN2O4
Molecular Weight264.64 g/mol
Exact Mass264.03
IUPAC Name5-chloro-1-[(2R,5S)-5-[fluoro(hydroxy)methyl]oxolan-2-yl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n([C@H]2CC[C@@H](C(O)F)O2)cc1Cl
InChIInChI=1S/C9H10ClFN2O4/c10-4-3-13(9(16)12-8(4)15)6-2-1-5(17-6)7(11)14/h3,5-7,14H,1-2H2,(H,12,15,16)/t5-,6+,7?/m0/s1
InChIKeyGXQKOTUXBAMPBF-GFCOJPQKSA-N
XLogP0.16
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.64
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

CID 153342271
CID 153342271
5-chloro-1-[(2S,5S)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 57172100
(2S,3S,5S)-5-(5-chloro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolane-2-carboxylic acid
CID 178018301
5-chloro-1-[(2S)-2,3-dihydrofuran-2-yl]pyrimidine-2,4-dione
CID 178018403
5-chloro-1-[(2R,4S,5R)-5-[deuterio(hydroxy)methyl]-4-fluorooxolan-2-yl]pyrimidine-2,4-dione
CID 121487302
1-[(2R,5S)-4,5-bis(hydroxymethyl)oxolan-2-yl]-5-chloropyrimidine-2,4-dione
CID 121487278
1-[(2R,4S,5S)-4-amino-5-(hydroxymethyl)oxolan-2-yl]-5-chloropyrimidine-2,4-dione
CID 14430116
[5-(5-chloro-2-oxo-4-sulfanylidenepyrimidin-1-yl)oxolan-2-yl]methoxy-trihydroxyphosphanium
CID 156803950
5-chloro-1-[(2R,3S,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 14885922
1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione;methanol
CID 178033550
5-chloro-1-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 14308790
5-ethynyl-1-[(5S)-5-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 156803847

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(2R,5S)-5-[fluoro(hydroxy)methyl]oxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 5-chloro-1-[(2R,5S)-5-[fluoro(hydroxy)methyl]oxolan-2-yl]pyrimidine-2,4-dione (CID 69173347) is 5-chloro-1-[(2R,5S)-5-[fluoro(hydroxy)methyl]oxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-chloro-1-[(2R,5S)-5-[fluoro(hydroxy)methyl]oxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 5-chloro-1-[(2R,5S)-5-[fluoro(hydroxy)methyl]oxolan-2-yl]pyrimidine-2,4-dione is O=c1[nH]c(=O)n([C@H]2CC[C@@H](C(O)F)O2)cc1Cl.
What is the InChIKey of 5-chloro-1-[(2R,5S)-5-[fluoro(hydroxy)methyl]oxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is GXQKOTUXBAMPBF-GFCOJPQKSA-N. The full InChI is InChI=1S/C9H10ClFN2O4/c10-4-3-13(9(16)12-8(4)15)6-2-1-5(17-6)7(11)14/h3,5-7,14H,1-2H2,(H,12,15,16)/t5-,6+,7?/m0/s1.
What are the key properties of 5-chloro-1-[(2R,5S)-5-[fluoro(hydroxy)methyl]oxolan-2-yl]pyrimidine-2,4-dione?
5-chloro-1-[(2R,5S)-5-[fluoro(hydroxy)methyl]oxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 264.64 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(2R,5S)-5-[fluoro(hydroxy)methyl]oxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 69173347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).