1-[(2R,3S,4R)-3,4-dihydroxy-4-(hydroxymethyl)thiolan-2-yl]-5-methylpyrimidine-2,4-dione

C10H14N2O5S — CID 132558163

IUPAC1-[(2R,3S,4R)-3,4-dihydroxy-4-(hydroxymethyl)thiolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@@H]2SC[C@@](O)(CO)[C@@H]2O)c(=O)[nH]c1=O
InChIInChI=1S/C10H14N2O5S/c1-5-2-12(9(16)11-7(5)15)8-6(14)10(17,3-13)4-18-8/h2,6,8,13-14,17H,3-4H2,1H3,(H,11,15,16)/t6-,8-,10+/m1/s1
InChIKeyIYLDBCYAFAWXJO-YNEQXMIYSA-N
MW274.30 g/mol
LogP-1.83
Rot. Bonds2

About 1-[(2R,3S,4R)-3,4-dihydroxy-4-(hydroxymethyl)thiolan-2-yl]-5-methylpyrimidine-2,4-dione

1-[(2R,3S,4R)-3,4-dihydroxy-4-(hydroxymethyl)thiolan-2-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 132558163) has the molecular formula C10H14N2O5S and a molecular weight of 274.30 g/mol. Its IUPAC name is 1-[(2R,3S,4R)-3,4-dihydroxy-4-(hydroxymethyl)thiolan-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,3S,4R)-3,4-dihydroxy-4-(hydroxymethyl)thiolan-2-yl]-5-methylpyrimidine-2,4-dione
PubChem CID132558163
Molecular FormulaC10H14N2O5S
Molecular Weight274.30 g/mol
Exact Mass274.06
IUPAC Name1-[(2R,3S,4R)-3,4-dihydroxy-4-(hydroxymethyl)thiolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@@H]2SC[C@@](O)(CO)[C@@H]2O)c(=O)[nH]c1=O
InChIInChI=1S/C10H14N2O5S/c1-5-2-12(9(16)11-7(5)15)8-6(14)10(17,3-13)4-18-8/h2,6,8,13-14,17H,3-4H2,1H3,(H,11,15,16)/t6-,8-,10+/m1/s1
InChIKeyIYLDBCYAFAWXJO-YNEQXMIYSA-N
XLogP-1.83
TPSA115.55 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 5-1.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(2R,3R,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 90673981
1-[4-hydroxy-5-(hydroxymethyl)-5-methylthiolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 71317513
1-[(1R,2S,4S,5S)-4-hydroxy-5-(hydroxymethyl)-6-thiabicyclo[3.1.0]hexan-2-yl]-5-methylpyrimidine-2,4-dione
CID 46217900
1-[(2R,3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 11608809
[3-(benzoyloxymethyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)thietan-3-yl]methyl benzoate
CID 24769854
1-[(1R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione
CID 6400287
1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]-5-(111C)methylpyrimidine-2,4-dione
CID 53348025
1-[(2R,4S,5R)-5-acetyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 15333771
1-[(2R,4R,5R)-4-(aminomethyl)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 22881706
1-[(2R,4S,5S)-5-benzoyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 15333774
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-5-phenylsulfanylthiolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 24822455
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-5-propanoyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 15333772

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S,4R)-3,4-dihydroxy-4-(hydroxymethyl)thiolan-2-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,3S,4R)-3,4-dihydroxy-4-(hydroxymethyl)thiolan-2-yl]-5-methylpyrimidine-2,4-dione (CID 132558163) is 1-[(2R,3S,4R)-3,4-dihydroxy-4-(hydroxymethyl)thiolan-2-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,3S,4R)-3,4-dihydroxy-4-(hydroxymethyl)thiolan-2-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,3S,4R)-3,4-dihydroxy-4-(hydroxymethyl)thiolan-2-yl]-5-methylpyrimidine-2,4-dione is Cc1cn([C@@H]2SC[C@@](O)(CO)[C@@H]2O)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(2R,3S,4R)-3,4-dihydroxy-4-(hydroxymethyl)thiolan-2-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is IYLDBCYAFAWXJO-YNEQXMIYSA-N. The full InChI is InChI=1S/C10H14N2O5S/c1-5-2-12(9(16)11-7(5)15)8-6(14)10(17,3-13)4-18-8/h2,6,8,13-14,17H,3-4H2,1H3,(H,11,15,16)/t6-,8-,10+/m1/s1.
What are the key properties of 1-[(2R,3S,4R)-3,4-dihydroxy-4-(hydroxymethyl)thiolan-2-yl]-5-methylpyrimidine-2,4-dione?
1-[(2R,3S,4R)-3,4-dihydroxy-4-(hydroxymethyl)thiolan-2-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 274.30 g/mol, XLogP of -1.83, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S,4R)-3,4-dihydroxy-4-(hydroxymethyl)thiolan-2-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 132558163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).