5-(2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde;ethane;2-methoxy-2-methylpropane;propane-2,2-diol

C19H36N2O7 — CID 156804182

IUPAC5-(2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde;ethane;2-methoxy-2-methylpropane;propane-2,2-diol
SMILESCC.CC(C)(O)O.COC(C)(C)C.O=CC1CCC(n2ccc(=O)[nH]c2=O)O1
InChIInChI=1S/C9H10N2O4.C5H12O.C3H8O2.C2H6/c12-5-6-1-2-8(15-6)11-4-3-7(13)10-9(11)14;1-5(2,3)6-4;1-3(2,4)5;1-2/h3-6,8H,1-2H2,(H,10,13,14);1-4H3;4-5H,1-2H3;1-2H3
InChIKeyGMQZIHNYOQOSRG-UHFFFAOYSA-N
MW404.50 g/mol
LogP1.58
Rot. Bonds2

About 5-(2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde;ethane;2-methoxy-2-methylpropane;propane-2,2-diol

5-(2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde;ethane;2-methoxy-2-methylpropane;propane-2,2-diol (PubChem CID 156804182) has the molecular formula C19H36N2O7 and a molecular weight of 404.50 g/mol. Its IUPAC name is 5-(2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde;ethane;2-methoxy-2-methylpropane;propane-2,2-diol.

Molecular Properties

Compound Name5-(2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde;ethane;2-methoxy-2-methylpropane;propane-2,2-diol
PubChem CID156804182
Molecular FormulaC19H36N2O7
Molecular Weight404.50 g/mol
Exact Mass404.25
IUPAC Name5-(2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde;ethane;2-methoxy-2-methylpropane;propane-2,2-diol
SMILESCC.CC(C)(O)O.COC(C)(C)C.O=CC1CCC(n2ccc(=O)[nH]c2=O)O1
InChIInChI=1S/C9H10N2O4.C5H12O.C3H8O2.C2H6/c12-5-6-1-2-8(15-6)11-4-3-7(13)10-9(11)14;1-5(2,3)6-4;1-3(2,4)5;1-2/h3-6,8H,1-2H2,(H,10,13,14);1-4H3;4-5H,1-2H3;1-2H3
InChIKeyGMQZIHNYOQOSRG-UHFFFAOYSA-N
XLogP1.58
TPSA130.85 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-(2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde;methanol
CID 169252397
ethane;1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;propane-2,2-diol
CID 163227427
[(E)-2-[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethenyl]-hydroxy-dimethoxyphosphanium
CID 142554941
methanol;1-[(2R,5S)-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 145071309
2-[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]acetaldehyde;methoxymethane
CID 178082508
1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;methanol
CID 178082525
(2S,5S)-5-(2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylic acid
CID 23268762
1-[5-(2-hydroxyethyl)oxolan-2-yl]pyrimidine-2,4-dione;methanol
CID 178082493
ethane;methoxy-N,N-di(propan-2-yl)phosphonamidous acid;1-(5-methyloxolan-2-yl)pyrimidine-2,4-dione
CID 143089389
5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolane-2-carbaldehyde;iridium
CID 169252384
CID 153342302
CID 153342302
1-[(2R,5S)-5-(phosphorosooxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 70849208

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde;ethane;2-methoxy-2-methylpropane;propane-2,2-diol?
The IUPAC name of 5-(2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde;ethane;2-methoxy-2-methylpropane;propane-2,2-diol (CID 156804182) is 5-(2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde;ethane;2-methoxy-2-methylpropane;propane-2,2-diol.
What is the SMILES notation for 5-(2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde;ethane;2-methoxy-2-methylpropane;propane-2,2-diol?
The canonical SMILES for 5-(2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde;ethane;2-methoxy-2-methylpropane;propane-2,2-diol is CC.CC(C)(O)O.COC(C)(C)C.O=CC1CCC(n2ccc(=O)[nH]c2=O)O1.
What is the InChIKey of 5-(2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde;ethane;2-methoxy-2-methylpropane;propane-2,2-diol?
The InChIKey is GMQZIHNYOQOSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4.C5H12O.C3H8O2.C2H6/c12-5-6-1-2-8(15-6)11-4-3-7(13)10-9(11)14;1-5(2,3)6-4;1-3(2,4)5;1-2/h3-6,8H,1-2H2,(H,10,13,14);1-4H3;4-5H,1-2H3;1-2H3.
What are the key properties of 5-(2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde;ethane;2-methoxy-2-methylpropane;propane-2,2-diol?
5-(2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde;ethane;2-methoxy-2-methylpropane;propane-2,2-diol has a molecular weight of 404.50 g/mol, XLogP of 1.58, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde;ethane;2-methoxy-2-methylpropane;propane-2,2-diol is sourced from PubChem (CID 156804182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).