3-[[1-(2-fluoroethyl)triazol-4-yl]methyl]-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione

C15H20FN5O5 — CID 91075340

IUPAC3-[[1-(2-fluoroethyl)triazol-4-yl]methyl]-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(C2CC(O)C(CO)O2)c(=O)n(Cc2cn(CCF)nn2)c1=O
InChIInChI=1S/C15H20FN5O5/c1-9-5-20(13-4-11(23)12(8-22)26-13)15(25)21(14(9)24)7-10-6-19(3-2-16)18-17-10/h5-6,11-13,22-23H,2-4,7-8H2,1H3
InChIKeyJLSNWWQAOKFKKM-UHFFFAOYSA-N
MW369.35 g/mol
LogP-1.43
Rot. Bonds6

About 3-[[1-(2-fluoroethyl)triazol-4-yl]methyl]-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione

3-[[1-(2-fluoroethyl)triazol-4-yl]methyl]-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 91075340) has the molecular formula C15H20FN5O5 and a molecular weight of 369.35 g/mol. Its IUPAC name is 3-[[1-(2-fluoroethyl)triazol-4-yl]methyl]-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[[1-(2-fluoroethyl)triazol-4-yl]methyl]-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
PubChem CID91075340
Molecular FormulaC15H20FN5O5
Molecular Weight369.35 g/mol
Exact Mass369.14
IUPAC Name3-[[1-(2-fluoroethyl)triazol-4-yl]methyl]-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(C2CC(O)C(CO)O2)c(=O)n(Cc2cn(CCF)nn2)c1=O
InChIInChI=1S/C15H20FN5O5/c1-9-5-20(13-4-11(23)12(8-22)26-13)15(25)21(14(9)24)7-10-6-19(3-2-16)18-17-10/h5-6,11-13,22-23H,2-4,7-8H2,1H3
InChIKeyJLSNWWQAOKFKKM-UHFFFAOYSA-N
XLogP-1.43
TPSA124.40 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 5-1.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

3-[[1-(2-fluoroethyl)triazol-4-yl]methyl]-1-[(2S,4S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 25033490
3-(2-(18F)fluoroethyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 16661562
3-[[1-(2-(18F)fluoroethyl)triazol-4-yl]methyl]-1-[(5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 45137773
3-(6-(18F)fluorohexyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 24985532
3-[(4-fluorophenyl)methyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 59760580
3-[2-[4-(fluoromethyl)triazol-1-yl]ethyl]-1-[5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 145471182
1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione
CID 6990676
1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-3-(3-methylbut-2-enyl)pyrimidine-2,4-dione
CID 118334097
3-(2-hydroxybutyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 71350310
3-[5-[4-(2-fluoroethyl)phenyl]pentyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 175676863
3-fluoro-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 57213361
[3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-2,6-dioxopyrimidin-1-yl]phosphonic acid
CID 174389603

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-fluoroethyl)triazol-4-yl]methyl]-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 3-[[1-(2-fluoroethyl)triazol-4-yl]methyl]-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione (CID 91075340) is 3-[[1-(2-fluoroethyl)triazol-4-yl]methyl]-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 3-[[1-(2-fluoroethyl)triazol-4-yl]methyl]-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 3-[[1-(2-fluoroethyl)triazol-4-yl]methyl]-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione is Cc1cn(C2CC(O)C(CO)O2)c(=O)n(Cc2cn(CCF)nn2)c1=O.
What is the InChIKey of 3-[[1-(2-fluoroethyl)triazol-4-yl]methyl]-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is JLSNWWQAOKFKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN5O5/c1-9-5-20(13-4-11(23)12(8-22)26-13)15(25)21(14(9)24)7-10-6-19(3-2-16)18-17-10/h5-6,11-13,22-23H,2-4,7-8H2,1H3.
What are the key properties of 3-[[1-(2-fluoroethyl)triazol-4-yl]methyl]-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
3-[[1-(2-fluoroethyl)triazol-4-yl]methyl]-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 369.35 g/mol, XLogP of -1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-fluoroethyl)triazol-4-yl]methyl]-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 91075340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).