1-[(2R,5R)-2-(hydroxymethyl)-4-oxo-1,3-thiazolidin-5-yl]-5-methylpyrimidine-2,4-dione

C9H11N3O4S — CID 10061010

IUPAC1-[(2R,5R)-2-(hydroxymethyl)-4-oxo-1,3-thiazolidin-5-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@@H]2S[C@H](CO)NC2=O)c(=O)[nH]c1=O
InChIInChI=1S/C9H11N3O4S/c1-4-2-12(9(16)11-6(4)14)8-7(15)10-5(3-13)17-8/h2,5,8,13H,3H2,1H3,(H,10,15)(H,11,14,16)/t5-,8-/m1/s1
InChIKeyWBBWSONTRSDEEQ-SVGQVSJJSA-N
MW257.27 g/mol
LogP-1.47
Rot. Bonds2

About 1-[(2R,5R)-2-(hydroxymethyl)-4-oxo-1,3-thiazolidin-5-yl]-5-methylpyrimidine-2,4-dione

1-[(2R,5R)-2-(hydroxymethyl)-4-oxo-1,3-thiazolidin-5-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 10061010) has the molecular formula C9H11N3O4S and a molecular weight of 257.27 g/mol. Its IUPAC name is 1-[(2R,5R)-2-(hydroxymethyl)-4-oxo-1,3-thiazolidin-5-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,5R)-2-(hydroxymethyl)-4-oxo-1,3-thiazolidin-5-yl]-5-methylpyrimidine-2,4-dione
PubChem CID10061010
Molecular FormulaC9H11N3O4S
Molecular Weight257.27 g/mol
Exact Mass257.05
IUPAC Name1-[(2R,5R)-2-(hydroxymethyl)-4-oxo-1,3-thiazolidin-5-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@@H]2S[C@H](CO)NC2=O)c(=O)[nH]c1=O
InChIInChI=1S/C9H11N3O4S/c1-4-2-12(9(16)11-6(4)14)8-7(15)10-5(3-13)17-8/h2,5,8,13H,3H2,1H3,(H,10,15)(H,11,14,16)/t5-,8-/m1/s1
InChIKeyWBBWSONTRSDEEQ-SVGQVSJJSA-N
XLogP-1.47
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 5-1.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]-5-(111C)methylpyrimidine-2,4-dione
CID 53348025
1-[5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;sulfanol
CID 177038919
1-[(2R,3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 11608809
1-[(2R,5S)-5-(hydroxymethyl)-3-oxooxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 57228598
1-[(1S,2R,3R,4R)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-5-methylpyrimidine-2,4-dione
CID 46186324
1-[(2S,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione
CID 727961
1-[(2R,5S)-5-(hydroxy(113C)methyl)-(2,3,4,5-13C4)2,5-dihydrofuran-2-yl]-5-methyl(613C,1,3-15N2)pyrimidine-2,4-dione
CID 11042603
1-[(1R,2R,4R,5S)-4-(hydroxymethyl)-6-oxabicyclo[3.1.0]hexan-2-yl]-5-methylpyrimidine-2,4-dione
CID 102420692
1-[3,4-bis(hydroxymethyl)oxetan-2-yl]-5-methylpyrimidine-2,4-dione
CID 23353423
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4-dione
CID 14776483
1-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 6473775
1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 139024626

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,5R)-2-(hydroxymethyl)-4-oxo-1,3-thiazolidin-5-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,5R)-2-(hydroxymethyl)-4-oxo-1,3-thiazolidin-5-yl]-5-methylpyrimidine-2,4-dione (CID 10061010) is 1-[(2R,5R)-2-(hydroxymethyl)-4-oxo-1,3-thiazolidin-5-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,5R)-2-(hydroxymethyl)-4-oxo-1,3-thiazolidin-5-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,5R)-2-(hydroxymethyl)-4-oxo-1,3-thiazolidin-5-yl]-5-methylpyrimidine-2,4-dione is Cc1cn([C@@H]2S[C@H](CO)NC2=O)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(2R,5R)-2-(hydroxymethyl)-4-oxo-1,3-thiazolidin-5-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is WBBWSONTRSDEEQ-SVGQVSJJSA-N. The full InChI is InChI=1S/C9H11N3O4S/c1-4-2-12(9(16)11-6(4)14)8-7(15)10-5(3-13)17-8/h2,5,8,13H,3H2,1H3,(H,10,15)(H,11,14,16)/t5-,8-/m1/s1.
What are the key properties of 1-[(2R,5R)-2-(hydroxymethyl)-4-oxo-1,3-thiazolidin-5-yl]-5-methylpyrimidine-2,4-dione?
1-[(2R,5R)-2-(hydroxymethyl)-4-oxo-1,3-thiazolidin-5-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 257.27 g/mol, XLogP of -1.47, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,5R)-2-(hydroxymethyl)-4-oxo-1,3-thiazolidin-5-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 10061010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).