[(2R,3R,4S,5R)-2-[4-amino-5-(1-naphthalen-1-ylethylcarbamoyl)-2-oxopyrimidin-1-yl]-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] hypofluorite

C22H23FN4O6 — CID 174190870

IUPAC[(2R,3R,4S,5R)-2-[4-amino-5-(1-naphthalen-1-ylethylcarbamoyl)-2-oxopyrimidin-1-yl]-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] hypofluorite
SMILESCC(NC(=O)c1cn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2OF)c(=O)nc1N)c1cccc2ccccc12
InChIInChI=1S/C22H23FN4O6/c1-11(13-8-4-6-12-5-2-3-7-14(12)13)25-20(30)15-9-27(22(31)26-19(15)24)21-18(33-23)17(29)16(10-28)32-21/h2-9,11,16-18,21,28-29H,10H2,1H3,(H,25,30)(H2,24,26,31)/t11?,16-,17+,18-,21-/m1/s1
InChIKeyUCWQNBFCXFZIHB-DDNTZZMVSA-N
MW458.45 g/mol
LogP0.99
Rot. Bonds6

About [(2R,3R,4S,5R)-2-[4-amino-5-(1-naphthalen-1-ylethylcarbamoyl)-2-oxopyrimidin-1-yl]-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] hypofluorite

[(2R,3R,4S,5R)-2-[4-amino-5-(1-naphthalen-1-ylethylcarbamoyl)-2-oxopyrimidin-1-yl]-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] hypofluorite (PubChem CID 174190870) has the molecular formula C22H23FN4O6 and a molecular weight of 458.45 g/mol. Its IUPAC name is [(2R,3R,4S,5R)-2-[4-amino-5-(1-naphthalen-1-ylethylcarbamoyl)-2-oxopyrimidin-1-yl]-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] hypofluorite.

Molecular Properties

Compound Name[(2R,3R,4S,5R)-2-[4-amino-5-(1-naphthalen-1-ylethylcarbamoyl)-2-oxopyrimidin-1-yl]-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] hypofluorite
PubChem CID174190870
Molecular FormulaC22H23FN4O6
Molecular Weight458.45 g/mol
Exact Mass458.16
IUPAC Name[(2R,3R,4S,5R)-2-[4-amino-5-(1-naphthalen-1-ylethylcarbamoyl)-2-oxopyrimidin-1-yl]-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] hypofluorite
SMILESCC(NC(=O)c1cn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2OF)c(=O)nc1N)c1cccc2ccccc12
InChIInChI=1S/C22H23FN4O6/c1-11(13-8-4-6-12-5-2-3-7-14(12)13)25-20(30)15-9-27(22(31)26-19(15)24)21-18(33-23)17(29)16(10-28)32-21/h2-9,11,16-18,21,28-29H,10H2,1H3,(H,25,30)(H2,24,26,31)/t11?,16-,17+,18-,21-/m1/s1
InChIKeyUCWQNBFCXFZIHB-DDNTZZMVSA-N
XLogP0.99
TPSA148.93 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.45
LogP ≤ 50.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze [(2R,3R,4S,5R)-2-[4-amino-5-(1-naphthalen-1-ylethylcarbamoyl)-2-oxopyrimidin-1-yl]-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] hypofluorite with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5R)-2-[4-amino-5-(1-naphthalen-1-ylethylcarbamoyl)-2-oxopyrimidin-1-yl]-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] hypofluorite?
The IUPAC name of [(2R,3R,4S,5R)-2-[4-amino-5-(1-naphthalen-1-ylethylcarbamoyl)-2-oxopyrimidin-1-yl]-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] hypofluorite (CID 174190870) is [(2R,3R,4S,5R)-2-[4-amino-5-(1-naphthalen-1-ylethylcarbamoyl)-2-oxopyrimidin-1-yl]-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] hypofluorite.
What is the SMILES notation for [(2R,3R,4S,5R)-2-[4-amino-5-(1-naphthalen-1-ylethylcarbamoyl)-2-oxopyrimidin-1-yl]-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] hypofluorite?
The canonical SMILES for [(2R,3R,4S,5R)-2-[4-amino-5-(1-naphthalen-1-ylethylcarbamoyl)-2-oxopyrimidin-1-yl]-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] hypofluorite is CC(NC(=O)c1cn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2OF)c(=O)nc1N)c1cccc2ccccc12.
What is the InChIKey of [(2R,3R,4S,5R)-2-[4-amino-5-(1-naphthalen-1-ylethylcarbamoyl)-2-oxopyrimidin-1-yl]-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] hypofluorite?
The InChIKey is UCWQNBFCXFZIHB-DDNTZZMVSA-N. The full InChI is InChI=1S/C22H23FN4O6/c1-11(13-8-4-6-12-5-2-3-7-14(12)13)25-20(30)15-9-27(22(31)26-19(15)24)21-18(33-23)17(29)16(10-28)32-21/h2-9,11,16-18,21,28-29H,10H2,1H3,(H,25,30)(H2,24,26,31)/t11?,16-,17+,18-,21-/m1/s1.
What are the key properties of [(2R,3R,4S,5R)-2-[4-amino-5-(1-naphthalen-1-ylethylcarbamoyl)-2-oxopyrimidin-1-yl]-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] hypofluorite?
[(2R,3R,4S,5R)-2-[4-amino-5-(1-naphthalen-1-ylethylcarbamoyl)-2-oxopyrimidin-1-yl]-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] hypofluorite has a molecular weight of 458.45 g/mol, XLogP of 0.99, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5R)-2-[4-amino-5-(1-naphthalen-1-ylethylcarbamoyl)-2-oxopyrimidin-1-yl]-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] hypofluorite is sourced from PubChem (CID 174190870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).