4-amino-1-[(2R,4R)-2-(methoxymethyl)-1,3-oxathiolan-4-yl]-5-methylpyrimidin-2-one

C10H15N3O3S — CID 118494732

IUPAC4-amino-1-[(2R,4R)-2-(methoxymethyl)-1,3-oxathiolan-4-yl]-5-methylpyrimidin-2-one
SMILESCOC[C@@H]1OC[C@H](n2cc(C)c(N)nc2=O)S1
InChIInChI=1S/C10H15N3O3S/c1-6-3-13(10(14)12-9(6)11)7-4-16-8(17-7)5-15-2/h3,7-8H,4-5H2,1-2H3,(H2,11,12,14)/t7-,8-/m1/s1
InChIKeyDQGAWFDISWBOJS-HTQZYQBOSA-N
MW257.31 g/mol
LogP0.37
Rot. Bonds3

About 4-amino-1-[(2R,4R)-2-(methoxymethyl)-1,3-oxathiolan-4-yl]-5-methylpyrimidin-2-one

4-amino-1-[(2R,4R)-2-(methoxymethyl)-1,3-oxathiolan-4-yl]-5-methylpyrimidin-2-one (PubChem CID 118494732) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 4-amino-1-[(2R,4R)-2-(methoxymethyl)-1,3-oxathiolan-4-yl]-5-methylpyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2R,4R)-2-(methoxymethyl)-1,3-oxathiolan-4-yl]-5-methylpyrimidin-2-one
PubChem CID118494732
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name4-amino-1-[(2R,4R)-2-(methoxymethyl)-1,3-oxathiolan-4-yl]-5-methylpyrimidin-2-one
SMILESCOC[C@@H]1OC[C@H](n2cc(C)c(N)nc2=O)S1
InChIInChI=1S/C10H15N3O3S/c1-6-3-13(10(14)12-9(6)11)7-4-16-8(17-7)5-15-2/h3,7-8H,4-5H2,1-2H3,(H2,11,12,14)/t7-,8-/m1/s1
InChIKeyDQGAWFDISWBOJS-HTQZYQBOSA-N
XLogP0.37
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-1-[(2R,4R)-2-(hydroxymethyl)-1,3-oxathiolan-4-yl]-5-methylpyrimidin-2-one
CID 163710891
4-amino-1-[2-(methoxymethyl)-1,3-oxathiolan-4-yl]-5-methylpyrimidin-2-one;4-amino-1-(2-methoxy-1,3-oxathiolan-4-yl)-5-methylpyrimidin-2-one;N-[1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]propanamide;N-[1-[(2R,3S,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]propanamide
CID 160974971
[4-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl butanoate
CID 23588775
4-[ethyl(propan-2-yl)amino]-1-[(2S)-2-(methoxymethyl)-1,3-oxathiolan-4-yl]pyrimidin-2-one
CID 134260494
[(2R,3R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-(methoxymethyl)oxolan-3-yl] methyl phosphate
CID 153458803
4-amino-1-[5-(aminomethyl)-3,4-dimethoxyoxolan-2-yl]-5-methylpyrimidin-2-one
CID 156513859
4-amino-5-methyl-1-(3-oxo-1,3-oxathiolan-5-yl)pyrimidin-2-one
CID 59795749
4-amino-1-[5-(hydroxymethyl)-3,4-dimethoxyoxolan-2-yl]-5-methylpyrimidin-2-one
CID 155454878
4-amino-1-[(6S)-6-(hydroxymethyl)oxan-2-yl]-5-methylpyrimidin-2-one
CID 171505178
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,3S)-2-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium
CID 165156020

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,4R)-2-(methoxymethyl)-1,3-oxathiolan-4-yl]-5-methylpyrimidin-2-one?
The IUPAC name of 4-amino-1-[(2R,4R)-2-(methoxymethyl)-1,3-oxathiolan-4-yl]-5-methylpyrimidin-2-one (CID 118494732) is 4-amino-1-[(2R,4R)-2-(methoxymethyl)-1,3-oxathiolan-4-yl]-5-methylpyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(2R,4R)-2-(methoxymethyl)-1,3-oxathiolan-4-yl]-5-methylpyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(2R,4R)-2-(methoxymethyl)-1,3-oxathiolan-4-yl]-5-methylpyrimidin-2-one is COC[C@@H]1OC[C@H](n2cc(C)c(N)nc2=O)S1.
What is the InChIKey of 4-amino-1-[(2R,4R)-2-(methoxymethyl)-1,3-oxathiolan-4-yl]-5-methylpyrimidin-2-one?
The InChIKey is DQGAWFDISWBOJS-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-6-3-13(10(14)12-9(6)11)7-4-16-8(17-7)5-15-2/h3,7-8H,4-5H2,1-2H3,(H2,11,12,14)/t7-,8-/m1/s1.
What are the key properties of 4-amino-1-[(2R,4R)-2-(methoxymethyl)-1,3-oxathiolan-4-yl]-5-methylpyrimidin-2-one?
4-amino-1-[(2R,4R)-2-(methoxymethyl)-1,3-oxathiolan-4-yl]-5-methylpyrimidin-2-one has a molecular weight of 257.31 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2R,4R)-2-(methoxymethyl)-1,3-oxathiolan-4-yl]-5-methylpyrimidin-2-one is sourced from PubChem (CID 118494732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).