5-[(2S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-6-methyl-1H-pyrimidin-2-one

C11H16N2O5 — CID 144823637

IUPAC5-[(2S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-6-methyl-1H-pyrimidin-2-one
SMILESCOC1C(O)[C@@H](CO)O[C@H]1c1cnc(=O)[nH]c1C
InChIInChI=1S/C11H16N2O5/c1-5-6(3-12-11(16)13-5)9-10(17-2)8(15)7(4-14)18-9/h3,7-10,14-15H,4H2,1-2H3,(H,12,13,16)/t7-,8?,9+,10?/m1/s1
InChIKeyHCZOMFTVNJWYQT-RJQCTPFPSA-N
MW256.26 g/mol
LogP-1.11
Rot. Bonds3

About 5-[(2S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-6-methyl-1H-pyrimidin-2-one

5-[(2S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-6-methyl-1H-pyrimidin-2-one (PubChem CID 144823637) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is 5-[(2S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-6-methyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-[(2S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-6-methyl-1H-pyrimidin-2-one
PubChem CID144823637
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Name5-[(2S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-6-methyl-1H-pyrimidin-2-one
SMILESCOC1C(O)[C@@H](CO)O[C@H]1c1cnc(=O)[nH]c1C
InChIInChI=1S/C11H16N2O5/c1-5-6(3-12-11(16)13-5)9-10(17-2)8(15)7(4-14)18-9/h3,7-10,14-15H,4H2,1-2H3,(H,12,13,16)/t7-,8?,9+,10?/m1/s1
InChIKeyHCZOMFTVNJWYQT-RJQCTPFPSA-N
XLogP-1.11
TPSA104.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-1.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(2S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-6-methyl-1H-pyrimidin-2-one?
The IUPAC name of 5-[(2S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-6-methyl-1H-pyrimidin-2-one (CID 144823637) is 5-[(2S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-6-methyl-1H-pyrimidin-2-one.
What is the SMILES notation for 5-[(2S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-6-methyl-1H-pyrimidin-2-one?
The canonical SMILES for 5-[(2S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-6-methyl-1H-pyrimidin-2-one is COC1C(O)[C@@H](CO)O[C@H]1c1cnc(=O)[nH]c1C.
What is the InChIKey of 5-[(2S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-6-methyl-1H-pyrimidin-2-one?
The InChIKey is HCZOMFTVNJWYQT-RJQCTPFPSA-N. The full InChI is InChI=1S/C11H16N2O5/c1-5-6(3-12-11(16)13-5)9-10(17-2)8(15)7(4-14)18-9/h3,7-10,14-15H,4H2,1-2H3,(H,12,13,16)/t7-,8?,9+,10?/m1/s1.
What are the key properties of 5-[(2S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-6-methyl-1H-pyrimidin-2-one?
5-[(2S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-6-methyl-1H-pyrimidin-2-one has a molecular weight of 256.26 g/mol, XLogP of -1.11, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-6-methyl-1H-pyrimidin-2-one is sourced from PubChem (CID 144823637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).