1-[5-(2-hydroxyethyl)oxolan-2-yl]pyrimidine-2,4-dione;methanol

C11H18N2O5 — CID 178082493

IUPAC1-[5-(2-hydroxyethyl)oxolan-2-yl]pyrimidine-2,4-dione;methanol
SMILESCO.O=c1ccn(C2CCC(CCO)O2)c(=O)[nH]1
InChIInChI=1S/C10H14N2O4.CH4O/c13-6-4-7-1-2-9(16-7)12-5-3-8(14)11-10(12)15;1-2/h3,5,7,9,13H,1-2,4,6H2,(H,11,14,15);2H,1H3
InChIKeyXOFJKWIIMQGPKR-UHFFFAOYSA-N
MW258.27 g/mol
LogP-0.79
Rot. Bonds3

About 1-[5-(2-hydroxyethyl)oxolan-2-yl]pyrimidine-2,4-dione;methanol

1-[5-(2-hydroxyethyl)oxolan-2-yl]pyrimidine-2,4-dione;methanol (PubChem CID 178082493) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is 1-[5-(2-hydroxyethyl)oxolan-2-yl]pyrimidine-2,4-dione;methanol.

Molecular Properties

Compound Name1-[5-(2-hydroxyethyl)oxolan-2-yl]pyrimidine-2,4-dione;methanol
PubChem CID178082493
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name1-[5-(2-hydroxyethyl)oxolan-2-yl]pyrimidine-2,4-dione;methanol
SMILESCO.O=c1ccn(C2CCC(CCO)O2)c(=O)[nH]1
InChIInChI=1S/C10H14N2O4.CH4O/c13-6-4-7-1-2-9(16-7)12-5-3-8(14)11-10(12)15;1-2/h3,5,7,9,13H,1-2,4,6H2,(H,11,14,15);2H,1H3
InChIKeyXOFJKWIIMQGPKR-UHFFFAOYSA-N
XLogP-0.79
TPSA104.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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
ethane;1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;propane-2,2-diol
CID 163227427
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
1-[5-(nitrosomethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 144767264
2-[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]acetaldehyde;methoxymethane
CID 178082508
5-(2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde;methanol
CID 169252397
[2-[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethoxy-hydroxyphosphoryl] methyl hydrogen phosphate
CID 123726760
1-[(2R,5S)-5-(phosphorosooxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 70849208
[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-diethoxy-hydroxyphosphanium
CID 172580649
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

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-hydroxyethyl)oxolan-2-yl]pyrimidine-2,4-dione;methanol?
The IUPAC name of 1-[5-(2-hydroxyethyl)oxolan-2-yl]pyrimidine-2,4-dione;methanol (CID 178082493) is 1-[5-(2-hydroxyethyl)oxolan-2-yl]pyrimidine-2,4-dione;methanol.
What is the SMILES notation for 1-[5-(2-hydroxyethyl)oxolan-2-yl]pyrimidine-2,4-dione;methanol?
The canonical SMILES for 1-[5-(2-hydroxyethyl)oxolan-2-yl]pyrimidine-2,4-dione;methanol is CO.O=c1ccn(C2CCC(CCO)O2)c(=O)[nH]1.
What is the InChIKey of 1-[5-(2-hydroxyethyl)oxolan-2-yl]pyrimidine-2,4-dione;methanol?
The InChIKey is XOFJKWIIMQGPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4.CH4O/c13-6-4-7-1-2-9(16-7)12-5-3-8(14)11-10(12)15;1-2/h3,5,7,9,13H,1-2,4,6H2,(H,11,14,15);2H,1H3.
What are the key properties of 1-[5-(2-hydroxyethyl)oxolan-2-yl]pyrimidine-2,4-dione;methanol?
1-[5-(2-hydroxyethyl)oxolan-2-yl]pyrimidine-2,4-dione;methanol has a molecular weight of 258.27 g/mol, XLogP of -0.79, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-hydroxyethyl)oxolan-2-yl]pyrimidine-2,4-dione;methanol is sourced from PubChem (CID 178082493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).