1-[(5R,7R,8R)-8-methoxy-5-(methoxymethyl)-2,6-dioxa-3-azabicyclo[3.2.1]octan-7-yl]-5-methylpyrimidine-2,4-dione

C13H19N3O6 — CID 174001291

IUPAC1-[(5R,7R,8R)-8-methoxy-5-(methoxymethyl)-2,6-dioxa-3-azabicyclo[3.2.1]octan-7-yl]-5-methylpyrimidine-2,4-dione
SMILESCOC[C@@]12CNOC([C@H](n3cc(C)c(=O)[nH]c3=O)O1)[C@H]2OC
InChIInChI=1S/C13H19N3O6/c1-7-4-16(12(18)15-10(7)17)11-8-9(20-3)13(21-11,6-19-2)5-14-22-8/h4,8-9,11,14H,5-6H2,1-3H3,(H,15,17,18)/t8?,9-,11-,13-/m1/s1
InChIKeyFPEGCOKGTFGYDL-HYEYYUAPSA-N
MW313.31 g/mol
LogP-1.32
Rot. Bonds4

About 1-[(5R,7R,8R)-8-methoxy-5-(methoxymethyl)-2,6-dioxa-3-azabicyclo[3.2.1]octan-7-yl]-5-methylpyrimidine-2,4-dione

1-[(5R,7R,8R)-8-methoxy-5-(methoxymethyl)-2,6-dioxa-3-azabicyclo[3.2.1]octan-7-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 174001291) has the molecular formula C13H19N3O6 and a molecular weight of 313.31 g/mol. Its IUPAC name is 1-[(5R,7R,8R)-8-methoxy-5-(methoxymethyl)-2,6-dioxa-3-azabicyclo[3.2.1]octan-7-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(5R,7R,8R)-8-methoxy-5-(methoxymethyl)-2,6-dioxa-3-azabicyclo[3.2.1]octan-7-yl]-5-methylpyrimidine-2,4-dione
PubChem CID174001291
Molecular FormulaC13H19N3O6
Molecular Weight313.31 g/mol
Exact Mass313.13
IUPAC Name1-[(5R,7R,8R)-8-methoxy-5-(methoxymethyl)-2,6-dioxa-3-azabicyclo[3.2.1]octan-7-yl]-5-methylpyrimidine-2,4-dione
SMILESCOC[C@@]12CNOC([C@H](n3cc(C)c(=O)[nH]c3=O)O1)[C@H]2OC
InChIInChI=1S/C13H19N3O6/c1-7-4-16(12(18)15-10(7)17)11-8-9(20-3)13(21-11,6-19-2)5-14-22-8/h4,8-9,11,14H,5-6H2,1-3H3,(H,15,17,18)/t8?,9-,11-,13-/m1/s1
InChIKeyFPEGCOKGTFGYDL-HYEYYUAPSA-N
XLogP-1.32
TPSA103.81 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 5-1.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[(5R,7R,8R)-8-methoxy-5-(methoxymethyl)-2,6-dioxa-3-azabicyclo[3.2.1]octan-7-yl]-5-methylpyrimidine-2,4-dione with MolForge

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Related Compounds

1-[(1S,3R)-7-hydroxy-1-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methylpyrimidine-2,4-dione
CID 89495452
5-methyl-1-[(1R,3R,4R,7S)-7-phenylmethoxy-1-(phenylmethoxymethyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]pyrimidine-2,4-dione
CID 135235523
[(1R,3R,7R)-7-hydroxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methyl methanesulfonate
CID 153434502
1-[(5S,7R,8R)-5-ethyl-8-hydroxy-2,6-dioxabicyclo[3.2.1]octan-7-yl]-5-methylpyrimidine-2,4-dione
CID 71228036
1-[(1S,5R,7R,8R)-8-hydroxy-5-(hydroxymethyl)-2,6-dioxabicyclo[3.2.1]octan-7-yl]-5-methylpyrimidine-2,4-dione
CID 174149039
[(1S,3R,7S)-1-(hydroxymethyl)-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl] dihydrogen phosphate
CID 102301531
5-methyl-1-[(1S,3S,4R,7S)-7-phenylmethoxy-1-(phenylmethoxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]pyrimidine-2,4-dione
CID 15374268
5-methyl-1-[(1R,3S,4R,7S)-7-[methyl(phosphoroso)boranyl]-1-[[methyl(phosphoroso)boranyl]methyl]-2,5-dioxabicyclo[2.2.1]heptan-3-yl]pyrimidine-2,4-dione
CID 167542295
1-[8-hydroxy-5-(hydroxymethyl)-3-methyl-2,6-dioxabicyclo[3.2.1]octan-7-yl]-5-methylpyrimidine-2,4-dione
CID 175709494
1-[(1S,3R)-7-butoxy-1-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methylpyrimidine-2,4-dione
CID 89495451
1-[4-methoxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 59957186
2-[(1S,3R,4S)-1-(hydroxymethyl)-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl]acetic acid
CID 174071290

Frequently Asked Questions

What is the IUPAC name of 1-[(5R,7R,8R)-8-methoxy-5-(methoxymethyl)-2,6-dioxa-3-azabicyclo[3.2.1]octan-7-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(5R,7R,8R)-8-methoxy-5-(methoxymethyl)-2,6-dioxa-3-azabicyclo[3.2.1]octan-7-yl]-5-methylpyrimidine-2,4-dione (CID 174001291) is 1-[(5R,7R,8R)-8-methoxy-5-(methoxymethyl)-2,6-dioxa-3-azabicyclo[3.2.1]octan-7-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(5R,7R,8R)-8-methoxy-5-(methoxymethyl)-2,6-dioxa-3-azabicyclo[3.2.1]octan-7-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(5R,7R,8R)-8-methoxy-5-(methoxymethyl)-2,6-dioxa-3-azabicyclo[3.2.1]octan-7-yl]-5-methylpyrimidine-2,4-dione is COC[C@@]12CNOC([C@H](n3cc(C)c(=O)[nH]c3=O)O1)[C@H]2OC.
What is the InChIKey of 1-[(5R,7R,8R)-8-methoxy-5-(methoxymethyl)-2,6-dioxa-3-azabicyclo[3.2.1]octan-7-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is FPEGCOKGTFGYDL-HYEYYUAPSA-N. The full InChI is InChI=1S/C13H19N3O6/c1-7-4-16(12(18)15-10(7)17)11-8-9(20-3)13(21-11,6-19-2)5-14-22-8/h4,8-9,11,14H,5-6H2,1-3H3,(H,15,17,18)/t8?,9-,11-,13-/m1/s1.
What are the key properties of 1-[(5R,7R,8R)-8-methoxy-5-(methoxymethyl)-2,6-dioxa-3-azabicyclo[3.2.1]octan-7-yl]-5-methylpyrimidine-2,4-dione?
1-[(5R,7R,8R)-8-methoxy-5-(methoxymethyl)-2,6-dioxa-3-azabicyclo[3.2.1]octan-7-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 313.31 g/mol, XLogP of -1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5R,7R,8R)-8-methoxy-5-(methoxymethyl)-2,6-dioxa-3-azabicyclo[3.2.1]octan-7-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 174001291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).