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

C11H16N2O5S — CID 11219939

IUPAC2-[[(2S,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methylsulfanyl]-5-methyl-1H-pyrimidin-6-one
SMILESCO[C@@H]1O[C@H](CSc2ncc(C)c(=O)[nH]2)[C@@H](O)[C@H]1O
InChIInChI=1S/C11H16N2O5S/c1-5-3-12-11(13-9(5)16)19-4-6-7(14)8(15)10(17-2)18-6/h3,6-8,10,14-15H,4H2,1-2H3,(H,12,13,16)/t6-,7-,8-,10-/m1/s1
InChIKeyXQVRYWUYUGTAOR-FDDDBJFASA-N
MW288.33 g/mol
LogP-0.74
Rot. Bonds4

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

2-[[(2S,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methylsulfanyl]-5-methyl-1H-pyrimidin-6-one (PubChem CID 11219939) has the molecular formula C11H16N2O5S and a molecular weight of 288.33 g/mol. Its IUPAC name is 2-[[(2S,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methylsulfanyl]-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[[(2S,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methylsulfanyl]-5-methyl-1H-pyrimidin-6-one
PubChem CID11219939
Molecular FormulaC11H16N2O5S
Molecular Weight288.33 g/mol
Exact Mass288.08
IUPAC Name2-[[(2S,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methylsulfanyl]-5-methyl-1H-pyrimidin-6-one
SMILESCO[C@@H]1O[C@H](CSc2ncc(C)c(=O)[nH]2)[C@@H](O)[C@H]1O
InChIInChI=1S/C11H16N2O5S/c1-5-3-12-11(13-9(5)16)19-4-6-7(14)8(15)10(17-2)18-6/h3,6-8,10,14-15H,4H2,1-2H3,(H,12,13,16)/t6-,7-,8-,10-/m1/s1
InChIKeyXQVRYWUYUGTAOR-FDDDBJFASA-N
XLogP-0.74
TPSA104.67 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[(2S,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methylsulfanyl]-5-methyl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methylsulfanyl]-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[[(2S,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methylsulfanyl]-5-methyl-1H-pyrimidin-6-one (CID 11219939) is 2-[[(2S,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methylsulfanyl]-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[[(2S,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methylsulfanyl]-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[[(2S,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methylsulfanyl]-5-methyl-1H-pyrimidin-6-one is CO[C@@H]1O[C@H](CSc2ncc(C)c(=O)[nH]2)[C@@H](O)[C@H]1O.
What is the InChIKey of 2-[[(2S,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methylsulfanyl]-5-methyl-1H-pyrimidin-6-one?
The InChIKey is XQVRYWUYUGTAOR-FDDDBJFASA-N. The full InChI is InChI=1S/C11H16N2O5S/c1-5-3-12-11(13-9(5)16)19-4-6-7(14)8(15)10(17-2)18-6/h3,6-8,10,14-15H,4H2,1-2H3,(H,12,13,16)/t6-,7-,8-,10-/m1/s1.
What are the key properties of 2-[[(2S,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methylsulfanyl]-5-methyl-1H-pyrimidin-6-one?
2-[[(2S,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methylsulfanyl]-5-methyl-1H-pyrimidin-6-one has a molecular weight of 288.33 g/mol, XLogP of -0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methylsulfanyl]-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 11219939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).