5-(1,3-dioxolan-2-yl)-1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

C12H16N2O6 — CID 70925341

IUPAC5-(1,3-dioxolan-2-yl)-1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(C2CC[C@@H](CO)O2)cc1C1OCCO1
InChIInChI=1S/C12H16N2O6/c15-6-7-1-2-9(20-7)14-5-8(10(16)13-12(14)17)11-18-3-4-19-11/h5,7,9,11,15H,1-4,6H2,(H,13,16,17)/t7-,9?/m0/s1
InChIKeyUEICKLLTVKJAQF-JAVCKPHESA-N
MW284.27 g/mol
LogP-0.75
Rot. Bonds3

About 5-(1,3-dioxolan-2-yl)-1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

5-(1,3-dioxolan-2-yl)-1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 70925341) has the molecular formula C12H16N2O6 and a molecular weight of 284.27 g/mol. Its IUPAC name is 5-(1,3-dioxolan-2-yl)-1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(1,3-dioxolan-2-yl)-1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
PubChem CID70925341
Molecular FormulaC12H16N2O6
Molecular Weight284.27 g/mol
Exact Mass284.10
IUPAC Name5-(1,3-dioxolan-2-yl)-1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(C2CC[C@@H](CO)O2)cc1C1OCCO1
InChIInChI=1S/C12H16N2O6/c15-6-7-1-2-9(20-7)14-5-8(10(16)13-12(14)17)11-18-3-4-19-11/h5,7,9,11,15H,1-4,6H2,(H,13,16,17)/t7-,9?/m0/s1
InChIKeyUEICKLLTVKJAQF-JAVCKPHESA-N
XLogP-0.75
TPSA102.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-(1,3-dioxolan-2-yl)-1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione with MolForge

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Related Compounds

1-[5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;sulfanol
CID 177038919
1-[5-(hydroxymethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione
CID 169201537
1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;2H-triazole
CID 67930071
1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione;methanol
CID 178033550
5-fluoro-1-[3-(hydroxymethyl)-1,4-dioxepan-5-yl]pyrimidine-2,4-dione
CID 101097973
methanol;methyl 2-[1-[5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyacetate
CID 169201569
1-(5-ethyloxolan-2-yl)-5-fluoropyrimidine-2,4-dione
CID 142167597
1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;methanol
CID 178082525
1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;5-methyl-1-[(2R,5R)-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 70261386
5-(bromomethyl)-1-[(2R,5R)-5-ethyloxolan-2-yl]pyrimidine-2,4-dione
CID 89276023
1-[5-(2-hydroxyethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione
CID 139418563
5-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1-methylpyrimidine-2,4-dione
CID 174007747

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dioxolan-2-yl)-1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 5-(1,3-dioxolan-2-yl)-1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione (CID 70925341) is 5-(1,3-dioxolan-2-yl)-1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-(1,3-dioxolan-2-yl)-1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 5-(1,3-dioxolan-2-yl)-1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione is O=c1[nH]c(=O)n(C2CC[C@@H](CO)O2)cc1C1OCCO1.
What is the InChIKey of 5-(1,3-dioxolan-2-yl)-1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is UEICKLLTVKJAQF-JAVCKPHESA-N. The full InChI is InChI=1S/C12H16N2O6/c15-6-7-1-2-9(20-7)14-5-8(10(16)13-12(14)17)11-18-3-4-19-11/h5,7,9,11,15H,1-4,6H2,(H,13,16,17)/t7-,9?/m0/s1.
What are the key properties of 5-(1,3-dioxolan-2-yl)-1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
5-(1,3-dioxolan-2-yl)-1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 284.27 g/mol, XLogP of -0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dioxolan-2-yl)-1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 70925341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).