5-(2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde;methanol

C10H14N2O5 — CID 169252397

IUPAC5-(2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde;methanol
SMILESCO.O=CC1CCC(n2ccc(=O)[nH]c2=O)O1
InChIInChI=1S/C9H10N2O4.CH4O/c12-5-6-1-2-8(15-6)11-4-3-7(13)10-9(11)14;1-2/h3-6,8H,1-2H2,(H,10,13,14);2H,1H3
InChIKeyYVSGVJVZRKPYQZ-UHFFFAOYSA-N
MW242.23 g/mol
LogP-0.98
Rot. Bonds2

About 5-(2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde;methanol

5-(2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde;methanol (PubChem CID 169252397) has the molecular formula C10H14N2O5 and a molecular weight of 242.23 g/mol. Its IUPAC name is 5-(2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde;methanol.

Molecular Properties

Compound Name5-(2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde;methanol
PubChem CID169252397
Molecular FormulaC10H14N2O5
Molecular Weight242.23 g/mol
Exact Mass242.09
IUPAC Name5-(2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde;methanol
SMILESCO.O=CC1CCC(n2ccc(=O)[nH]c2=O)O1
InChIInChI=1S/C9H10N2O4.CH4O/c12-5-6-1-2-8(15-6)11-4-3-7(13)10-9(11)14;1-2/h3-6,8H,1-2H2,(H,10,13,14);2H,1H3
InChIKeyYVSGVJVZRKPYQZ-UHFFFAOYSA-N
XLogP-0.98
TPSA101.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-(2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde;ethane;2-methoxy-2-methylpropane;propane-2,2-diol
CID 156804182
[(E)-2-[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethenyl]-hydroxy-dimethoxyphosphanium
CID 142554941
1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;methanol
CID 178082525
methanol;1-[(2R,5S)-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 145071309
1-[5-(2-hydroxyethyl)oxolan-2-yl]pyrimidine-2,4-dione;methanol
CID 178082493
(2S,5S)-5-(2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylic acid
CID 23268762
2-[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]acetaldehyde;methoxymethane
CID 178082508
5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolane-2-carbaldehyde;iridium
CID 169252384
1-[(2R,5S)-5-(chloromethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 23261037
1-[5-(methylaminomethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 170586971
ethane;1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;propane-2,2-diol
CID 163227427
(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolane-3-carbaldehyde
CID 3011752

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde;methanol?
The IUPAC name of 5-(2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde;methanol (CID 169252397) is 5-(2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde;methanol.
What is the SMILES notation for 5-(2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde;methanol?
The canonical SMILES for 5-(2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde;methanol is CO.O=CC1CCC(n2ccc(=O)[nH]c2=O)O1.
What is the InChIKey of 5-(2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde;methanol?
The InChIKey is YVSGVJVZRKPYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4.CH4O/c12-5-6-1-2-8(15-6)11-4-3-7(13)10-9(11)14;1-2/h3-6,8H,1-2H2,(H,10,13,14);2H,1H3.
What are the key properties of 5-(2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde;methanol?
5-(2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde;methanol has a molecular weight of 242.23 g/mol, XLogP of -0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde;methanol is sourced from PubChem (CID 169252397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).