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

C11H16N2O5 — CID 175677425

IUPAC5-[(2S,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc([C@@H]2O[C@H](CO)C[C@H]2O)c(=O)n(C)c1=O
InChIInChI=1S/C11H16N2O5/c1-12-4-7(10(16)13(2)11(12)17)9-8(15)3-6(5-14)18-9/h4,6,8-9,14-15H,3,5H2,1-2H3/t6-,8+,9-/m0/s1
InChIKeyQBXNQCXJPDDZNX-ZQARSLAVSA-N
MW256.26 g/mol
LogP-1.73
Rot. Bonds2

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

5-[(2S,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 175677425) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is 5-[(2S,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(2S,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID175677425
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Name5-[(2S,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc([C@@H]2O[C@H](CO)C[C@H]2O)c(=O)n(C)c1=O
InChIInChI=1S/C11H16N2O5/c1-12-4-7(10(16)13(2)11(12)17)9-8(15)3-6(5-14)18-9/h4,6,8-9,14-15H,3,5H2,1-2H3/t6-,8+,9-/m0/s1
InChIKeyQBXNQCXJPDDZNX-ZQARSLAVSA-N
XLogP-1.73
TPSA93.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-1.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

5-[3,4-dihydroxy-5-(2-hydroxyethyl)oxolan-2-yl]-1,3-dimethylpyrimidine-2,4-dione
CID 138706116
1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione
CID 6990676
5-cyclohexyl-1,3-dimethylpyrimidine-2,4-dione
CID 14386102
2-(3-bromo-2-methylphenyl)-6-(hydroxymethyl)oxane-3,4-diol
CID 123185594
5-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-1H-pyrimidine-2,4-dione
CID 21121800
1-[6-(hydroxymethyl)-4-methylmorpholin-2-yl]-3,5-dimethylpyrimidine-2,4-dione
CID 59283951
CID 89009829
CID 89009829
1-[(2R,4S,5R)-5-(hydroxymethyl)-4-methoxyoxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione
CID 121007446
5-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1-methylpyrimidine-2,4-dione
CID 174007747
5-[5-(hydroxymethyl)oxolan-2-yl]-1-methylpyrimidine-2,4-dione
CID 169201590
5-[(2S,5S)-5-(methoxymethoxymethyl)-2,5-dihydrofuran-2-yl]-1,3-dimethylpyrimidine-2,4-dione
CID 13149088
2-[3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,6,7-trihydroxyxanthen-9-one
CID 162904931

Frequently Asked Questions

What is the IUPAC name of 5-[(2S,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[(2S,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-dimethylpyrimidine-2,4-dione (CID 175677425) is 5-[(2S,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[(2S,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[(2S,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-dimethylpyrimidine-2,4-dione is Cn1cc([C@@H]2O[C@H](CO)C[C@H]2O)c(=O)n(C)c1=O.
What is the InChIKey of 5-[(2S,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is QBXNQCXJPDDZNX-ZQARSLAVSA-N. The full InChI is InChI=1S/C11H16N2O5/c1-12-4-7(10(16)13(2)11(12)17)9-8(15)3-6(5-14)18-9/h4,6,8-9,14-15H,3,5H2,1-2H3/t6-,8+,9-/m0/s1.
What are the key properties of 5-[(2S,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-dimethylpyrimidine-2,4-dione?
5-[(2S,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 256.26 g/mol, XLogP of -1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 175677425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).