1-[(2S,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)oxolan-2-yl]-5,6-dimethylpyrimidine-2,4-dione

C11H16N2O6 — CID 91459692

IUPAC1-[(2S,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)oxolan-2-yl]-5,6-dimethylpyrimidine-2,4-dione
SMILESCc1c(C)n([C@@]2(CO)OC[C@H](O)[C@@H]2O)c(=O)[nH]c1=O
InChIInChI=1S/C11H16N2O6/c1-5-6(2)13(10(18)12-9(5)17)11(4-14)8(16)7(15)3-19-11/h7-8,14-16H,3-4H2,1-2H3,(H,12,17,18)/t7-,8-,11-/m0/s1
InChIKeyFMENNCNOHZVQCE-LAEOZQHASA-N
MW272.26 g/mol
LogP-2.45
Rot. Bonds2

About 1-[(2S,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)oxolan-2-yl]-5,6-dimethylpyrimidine-2,4-dione

1-[(2S,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)oxolan-2-yl]-5,6-dimethylpyrimidine-2,4-dione (PubChem CID 91459692) has the molecular formula C11H16N2O6 and a molecular weight of 272.26 g/mol. Its IUPAC name is 1-[(2S,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)oxolan-2-yl]-5,6-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2S,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)oxolan-2-yl]-5,6-dimethylpyrimidine-2,4-dione
PubChem CID91459692
Molecular FormulaC11H16N2O6
Molecular Weight272.26 g/mol
Exact Mass272.10
IUPAC Name1-[(2S,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)oxolan-2-yl]-5,6-dimethylpyrimidine-2,4-dione
SMILESCc1c(C)n([C@@]2(CO)OC[C@H](O)[C@@H]2O)c(=O)[nH]c1=O
InChIInChI=1S/C11H16N2O6/c1-5-6(2)13(10(18)12-9(5)17)11(4-14)8(16)7(15)3-19-11/h7-8,14-16H,3-4H2,1-2H3,(H,12,17,18)/t7-,8-,11-/m0/s1
InChIKeyFMENNCNOHZVQCE-LAEOZQHASA-N
XLogP-2.45
TPSA124.78 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 5-2.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 1-[(2S,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)oxolan-2-yl]-5,6-dimethylpyrimidine-2,4-dione with MolForge

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Related Compounds

1-[(2S,3R,4S)-3-bromo-4-hydroxy-2-(hydroxymethyl)oxolan-2-yl]-5-(2-iodoethenyl)pyrimidine-2,4-dione
CID 90766663
1-[(2R,4S,5R)-5-acetyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 15333771
1-[(1S,3R)-7-hydroxy-1-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methylpyrimidine-2,4-dione
CID 89495452
(2S,4R,5R)-4-hydroxy-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde
CID 121487533
1-[(2R,3R,4R,5R)-4,5-dideuterio-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-5,6-dimethylpyrimidine-2,4-dione
CID 121325153
1-[(2R,3R,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 90673981
1-[(2R,3R,4R,5R)-4,5-dideuterio-5-[deuterio(hydroxy)methyl]-3-fluoro-4-hydroxy-3-methyloxolan-2-yl]-5,6-dimethylpyrimidine-2,4-dione
CID 121325140
6-hydroxy-5-methyl-1-(1-methylcyclopentyl)pyrimidine-2,4-dione
CID 112601044
1-(2,2-dimethylcyclopropyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112599995
(3R,4S)-2-(hydroxymethyl)-2-methoxyoxolane-3,4-diol
CID 131019383
(2S,5S)-5-(hydroxymethyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylic acid
CID 68950724
2-(5,6-dimethyl-2,4-dioxopyrimidin-1-yl)acetyl chloride
CID 130012614

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)oxolan-2-yl]-5,6-dimethylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2S,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)oxolan-2-yl]-5,6-dimethylpyrimidine-2,4-dione (CID 91459692) is 1-[(2S,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)oxolan-2-yl]-5,6-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2S,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)oxolan-2-yl]-5,6-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2S,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)oxolan-2-yl]-5,6-dimethylpyrimidine-2,4-dione is Cc1c(C)n([C@@]2(CO)OC[C@H](O)[C@@H]2O)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(2S,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)oxolan-2-yl]-5,6-dimethylpyrimidine-2,4-dione?
The InChIKey is FMENNCNOHZVQCE-LAEOZQHASA-N. The full InChI is InChI=1S/C11H16N2O6/c1-5-6(2)13(10(18)12-9(5)17)11(4-14)8(16)7(15)3-19-11/h7-8,14-16H,3-4H2,1-2H3,(H,12,17,18)/t7-,8-,11-/m0/s1.
What are the key properties of 1-[(2S,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)oxolan-2-yl]-5,6-dimethylpyrimidine-2,4-dione?
1-[(2S,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)oxolan-2-yl]-5,6-dimethylpyrimidine-2,4-dione has a molecular weight of 272.26 g/mol, XLogP of -2.45, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)oxolan-2-yl]-5,6-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 91459692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).