1-[[1-(furan-3-yl)-2-hydroxyethoxy]methyl]pyrimidine-2,4-dione

C11H12N2O5 — CID 70375280

IUPAC1-[[1-(furan-3-yl)-2-hydroxyethoxy]methyl]pyrimidine-2,4-dione
SMILESO=c1ccn(COC(CO)c2ccoc2)c(=O)[nH]1
InChIInChI=1S/C11H12N2O5/c14-5-9(8-2-4-17-6-8)18-7-13-3-1-10(15)12-11(13)16/h1-4,6,9,14H,5,7H2,(H,12,15,16)
InChIKeyNUFJALREWCZTKM-UHFFFAOYSA-N
MW252.23 g/mol
LogP-0.16
Rot. Bonds5

About 1-[[1-(furan-3-yl)-2-hydroxyethoxy]methyl]pyrimidine-2,4-dione

1-[[1-(furan-3-yl)-2-hydroxyethoxy]methyl]pyrimidine-2,4-dione (PubChem CID 70375280) has the molecular formula C11H12N2O5 and a molecular weight of 252.23 g/mol. Its IUPAC name is 1-[[1-(furan-3-yl)-2-hydroxyethoxy]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[[1-(furan-3-yl)-2-hydroxyethoxy]methyl]pyrimidine-2,4-dione
PubChem CID70375280
Molecular FormulaC11H12N2O5
Molecular Weight252.23 g/mol
Exact Mass252.07
IUPAC Name1-[[1-(furan-3-yl)-2-hydroxyethoxy]methyl]pyrimidine-2,4-dione
SMILESO=c1ccn(COC(CO)c2ccoc2)c(=O)[nH]1
InChIInChI=1S/C11H12N2O5/c14-5-9(8-2-4-17-6-8)18-7-13-3-1-10(15)12-11(13)16/h1-4,6,9,14H,5,7H2,(H,12,15,16)
InChIKeyNUFJALREWCZTKM-UHFFFAOYSA-N
XLogP-0.16
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(furan-3-yl)-2-hydroxyethoxy]methyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[[1-(furan-3-yl)-2-hydroxyethoxy]methyl]pyrimidine-2,4-dione (CID 70375280) is 1-[[1-(furan-3-yl)-2-hydroxyethoxy]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[[1-(furan-3-yl)-2-hydroxyethoxy]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[[1-(furan-3-yl)-2-hydroxyethoxy]methyl]pyrimidine-2,4-dione is O=c1ccn(COC(CO)c2ccoc2)c(=O)[nH]1.
What is the InChIKey of 1-[[1-(furan-3-yl)-2-hydroxyethoxy]methyl]pyrimidine-2,4-dione?
The InChIKey is NUFJALREWCZTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O5/c14-5-9(8-2-4-17-6-8)18-7-13-3-1-10(15)12-11(13)16/h1-4,6,9,14H,5,7H2,(H,12,15,16).
What are the key properties of 1-[[1-(furan-3-yl)-2-hydroxyethoxy]methyl]pyrimidine-2,4-dione?
1-[[1-(furan-3-yl)-2-hydroxyethoxy]methyl]pyrimidine-2,4-dione has a molecular weight of 252.23 g/mol, XLogP of -0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(furan-3-yl)-2-hydroxyethoxy]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 70375280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).