4-amino-1-[(2R,3R,4R,5R)-3-ethoxy-5-ethyl-4-methyloxolan-2-yl]-5-methylpyrimidin-2-one

C14H23N3O3 — CID 159480028

IUPAC4-amino-1-[(2R,3R,4R,5R)-3-ethoxy-5-ethyl-4-methyloxolan-2-yl]-5-methylpyrimidin-2-one
SMILESCCO[C@@H]1[C@H](C)[C@@H](CC)O[C@H]1n1cc(C)c(N)nc1=O
InChIInChI=1S/C14H23N3O3/c1-5-10-9(4)11(19-6-2)13(20-10)17-7-8(3)12(15)16-14(17)18/h7,9-11,13H,5-6H2,1-4H3,(H2,15,16,18)/t9-,10-,11-,13-/m1/s1
InChIKeyQOXRVNWFRSUTKY-PRULPYPASA-N
MW281.36 g/mol
LogP1.48
Rot. Bonds4

About 4-amino-1-[(2R,3R,4R,5R)-3-ethoxy-5-ethyl-4-methyloxolan-2-yl]-5-methylpyrimidin-2-one

4-amino-1-[(2R,3R,4R,5R)-3-ethoxy-5-ethyl-4-methyloxolan-2-yl]-5-methylpyrimidin-2-one (PubChem CID 159480028) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-amino-1-[(2R,3R,4R,5R)-3-ethoxy-5-ethyl-4-methyloxolan-2-yl]-5-methylpyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2R,3R,4R,5R)-3-ethoxy-5-ethyl-4-methyloxolan-2-yl]-5-methylpyrimidin-2-one
PubChem CID159480028
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name4-amino-1-[(2R,3R,4R,5R)-3-ethoxy-5-ethyl-4-methyloxolan-2-yl]-5-methylpyrimidin-2-one
SMILESCCO[C@@H]1[C@H](C)[C@@H](CC)O[C@H]1n1cc(C)c(N)nc1=O
InChIInChI=1S/C14H23N3O3/c1-5-10-9(4)11(19-6-2)13(20-10)17-7-8(3)12(15)16-14(17)18/h7,9-11,13H,5-6H2,1-4H3,(H2,15,16,18)/t9-,10-,11-,13-/m1/s1
InChIKeyQOXRVNWFRSUTKY-PRULPYPASA-N
XLogP1.48
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-amino-1-[(2R,3R,4R,5R)-3-ethoxy-5-ethyl-4-methyloxolan-2-yl]-5-methylpyrimidin-2-one with MolForge

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Related Compounds

4-amino-1-[5-(aminomethyl)-3,4-dimethoxyoxolan-2-yl]-5-methylpyrimidin-2-one
CID 156513859
4-amino-1-[5-(hydroxymethyl)-3,4-dimethoxyoxolan-2-yl]-5-methylpyrimidin-2-one
CID 155454878
4-amino-1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylperoxyoxolan-2-yl]-5-methylpyrimidin-2-one
CID 175232169
4-amino-1-[(2R,3S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidin-2-one
CID 97311787
4-amino-1-[(2R,5R)-5-ethyloxolan-2-yl]-5-methylpyrimidin-2-one
CID 164835462
4-amino-1-[(2R,4S,5R)-5-(2,2-dimethylpropyl)-3-(2-methoxyethoxy)-4-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]-5-methylpyrimidin-2-one
CID 153457446
4-amino-1-[4-methoxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-5-methylpyrimidin-2-one;1-[4-methoxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 159514642
4-amino-1-[(2R,3S,5R)-3-but-3-ynoxy-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
CID 155657461
[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-4-(2-methoxyethoxy)-2-propyloxolan-3-yl] methyl hydrogen phosphate
CID 122524984
[(2R,3S,4R,5R)-4-acetyloxy-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-methylsulfonyloxyoxolan-2-yl]methyl acetate
CID 87409796
4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one;phosphoric acid
CID 71239319
[(2R,3S,4R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;azane
CID 131845132

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,3R,4R,5R)-3-ethoxy-5-ethyl-4-methyloxolan-2-yl]-5-methylpyrimidin-2-one?
The IUPAC name of 4-amino-1-[(2R,3R,4R,5R)-3-ethoxy-5-ethyl-4-methyloxolan-2-yl]-5-methylpyrimidin-2-one (CID 159480028) is 4-amino-1-[(2R,3R,4R,5R)-3-ethoxy-5-ethyl-4-methyloxolan-2-yl]-5-methylpyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(2R,3R,4R,5R)-3-ethoxy-5-ethyl-4-methyloxolan-2-yl]-5-methylpyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(2R,3R,4R,5R)-3-ethoxy-5-ethyl-4-methyloxolan-2-yl]-5-methylpyrimidin-2-one is CCO[C@@H]1[C@H](C)[C@@H](CC)O[C@H]1n1cc(C)c(N)nc1=O.
What is the InChIKey of 4-amino-1-[(2R,3R,4R,5R)-3-ethoxy-5-ethyl-4-methyloxolan-2-yl]-5-methylpyrimidin-2-one?
The InChIKey is QOXRVNWFRSUTKY-PRULPYPASA-N. The full InChI is InChI=1S/C14H23N3O3/c1-5-10-9(4)11(19-6-2)13(20-10)17-7-8(3)12(15)16-14(17)18/h7,9-11,13H,5-6H2,1-4H3,(H2,15,16,18)/t9-,10-,11-,13-/m1/s1.
What are the key properties of 4-amino-1-[(2R,3R,4R,5R)-3-ethoxy-5-ethyl-4-methyloxolan-2-yl]-5-methylpyrimidin-2-one?
4-amino-1-[(2R,3R,4R,5R)-3-ethoxy-5-ethyl-4-methyloxolan-2-yl]-5-methylpyrimidin-2-one has a molecular weight of 281.36 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2R,3R,4R,5R)-3-ethoxy-5-ethyl-4-methyloxolan-2-yl]-5-methylpyrimidin-2-one is sourced from PubChem (CID 159480028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).