5-[(2S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1H-pyrazin-2-one

C10H14N2O5 — CID 118005201

IUPAC5-[(2S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1H-pyrazin-2-one
SMILESCc1[nH]c(=O)cnc1[C@@H]1O[C@H](CO)[C@H](O)C1O
InChIInChI=1S/C10H14N2O5/c1-4-7(11-2-6(14)12-4)10-9(16)8(15)5(3-13)17-10/h2,5,8-10,13,15-16H,3H2,1H3,(H,12,14)/t5-,8+,9?,10+/m1/s1
InChIKeyYPWDSAOVHQNDAB-FALUAKJCSA-N
MW242.23 g/mol
LogP-1.77
Rot. Bonds2

About 5-[(2S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1H-pyrazin-2-one

5-[(2S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1H-pyrazin-2-one (PubChem CID 118005201) has the molecular formula C10H14N2O5 and a molecular weight of 242.23 g/mol. Its IUPAC name is 5-[(2S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1H-pyrazin-2-one.

Molecular Properties

Compound Name5-[(2S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1H-pyrazin-2-one
PubChem CID118005201
Molecular FormulaC10H14N2O5
Molecular Weight242.23 g/mol
Exact Mass242.09
IUPAC Name5-[(2S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1H-pyrazin-2-one
SMILESCc1[nH]c(=O)cnc1[C@@H]1O[C@H](CO)[C@H](O)C1O
InChIInChI=1S/C10H14N2O5/c1-4-7(11-2-6(14)12-4)10-9(16)8(15)5(3-13)17-10/h2,5,8-10,13,15-16H,3H2,1H3,(H,12,14)/t5-,8+,9?,10+/m1/s1
InChIKeyYPWDSAOVHQNDAB-FALUAKJCSA-N
XLogP-1.77
TPSA115.67 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-1.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1H-pyrimidin-2-one
CID 118005028
6-fluoro-5-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-pyrazin-2-one
CID 123136021
6-fluoro-5-[(2S,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-pyrazin-2-one
CID 118005325
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-(4-methyl-1H-imidazol-5-yl)oxolane-3,4-diol
CID 135522006
3-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,6-dimethyl-1H-1,8-naphthyridin-2-one
CID 144823865
7-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-5H-pyrido[2,3-b]pyrazin-6-one
CID 144823806
5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,6-dimethyl-1H-pyridin-2-one
CID 118004768
3-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-6-methyl-1H-1,8-naphthyridin-2-one
CID 144823770
5-[(2S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-6-methyl-1H-pyrimidin-2-one
CID 144823637
5-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-ethynyl-3-methyl-1H-pyrazin-2-one
CID 123980983
5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-ethynyl-3-methyl-1H-pyrazin-2-one
CID 118004756
6-[(2S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,8-dihydropyrido[2,3-d]pyrimidine-2,7-dione
CID 122543350

Frequently Asked Questions

What is the IUPAC name of 5-[(2S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1H-pyrazin-2-one?
The IUPAC name of 5-[(2S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1H-pyrazin-2-one (CID 118005201) is 5-[(2S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1H-pyrazin-2-one.
What is the SMILES notation for 5-[(2S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1H-pyrazin-2-one?
The canonical SMILES for 5-[(2S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1H-pyrazin-2-one is Cc1[nH]c(=O)cnc1[C@@H]1O[C@H](CO)[C@H](O)C1O.
What is the InChIKey of 5-[(2S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1H-pyrazin-2-one?
The InChIKey is YPWDSAOVHQNDAB-FALUAKJCSA-N. The full InChI is InChI=1S/C10H14N2O5/c1-4-7(11-2-6(14)12-4)10-9(16)8(15)5(3-13)17-10/h2,5,8-10,13,15-16H,3H2,1H3,(H,12,14)/t5-,8+,9?,10+/m1/s1.
What are the key properties of 5-[(2S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1H-pyrazin-2-one?
5-[(2S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1H-pyrazin-2-one has a molecular weight of 242.23 g/mol, XLogP of -1.77, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1H-pyrazin-2-one is sourced from PubChem (CID 118005201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).