4-benzyl-3-(ethoxymethyl)-6-(hydroxymethyl)-5,6-dihydrofuro[2,3-d]pyrimidin-2-one

C17H20N2O4 — CID 10958053

IUPAC4-benzyl-3-(ethoxymethyl)-6-(hydroxymethyl)-5,6-dihydrofuro[2,3-d]pyrimidin-2-one
SMILESCCOCn1c(Cc2ccccc2)c2c(nc1=O)OC(CO)C2
InChIInChI=1S/C17H20N2O4/c1-2-22-11-19-15(8-12-6-4-3-5-7-12)14-9-13(10-20)23-16(14)18-17(19)21/h3-7,13,20H,2,8-11H2,1H3
InChIKeyFURYBAARKTUOCN-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.12
Rot. Bonds6

About 4-benzyl-3-(ethoxymethyl)-6-(hydroxymethyl)-5,6-dihydrofuro[2,3-d]pyrimidin-2-one

4-benzyl-3-(ethoxymethyl)-6-(hydroxymethyl)-5,6-dihydrofuro[2,3-d]pyrimidin-2-one (PubChem CID 10958053) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-benzyl-3-(ethoxymethyl)-6-(hydroxymethyl)-5,6-dihydrofuro[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-benzyl-3-(ethoxymethyl)-6-(hydroxymethyl)-5,6-dihydrofuro[2,3-d]pyrimidin-2-one
PubChem CID10958053
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name4-benzyl-3-(ethoxymethyl)-6-(hydroxymethyl)-5,6-dihydrofuro[2,3-d]pyrimidin-2-one
SMILESCCOCn1c(Cc2ccccc2)c2c(nc1=O)OC(CO)C2
InChIInChI=1S/C17H20N2O4/c1-2-22-11-19-15(8-12-6-4-3-5-7-12)14-9-13(10-20)23-16(14)18-17(19)21/h3-7,13,20H,2,8-11H2,1H3
InChIKeyFURYBAARKTUOCN-UHFFFAOYSA-N
XLogP1.12
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-(ethoxymethyl)-6-(hydroxymethyl)-5,6-dihydrofuro[2,3-d]pyrimidin-2-one?
The IUPAC name of 4-benzyl-3-(ethoxymethyl)-6-(hydroxymethyl)-5,6-dihydrofuro[2,3-d]pyrimidin-2-one (CID 10958053) is 4-benzyl-3-(ethoxymethyl)-6-(hydroxymethyl)-5,6-dihydrofuro[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 4-benzyl-3-(ethoxymethyl)-6-(hydroxymethyl)-5,6-dihydrofuro[2,3-d]pyrimidin-2-one?
The canonical SMILES for 4-benzyl-3-(ethoxymethyl)-6-(hydroxymethyl)-5,6-dihydrofuro[2,3-d]pyrimidin-2-one is CCOCn1c(Cc2ccccc2)c2c(nc1=O)OC(CO)C2.
What is the InChIKey of 4-benzyl-3-(ethoxymethyl)-6-(hydroxymethyl)-5,6-dihydrofuro[2,3-d]pyrimidin-2-one?
The InChIKey is FURYBAARKTUOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-2-22-11-19-15(8-12-6-4-3-5-7-12)14-9-13(10-20)23-16(14)18-17(19)21/h3-7,13,20H,2,8-11H2,1H3.
What are the key properties of 4-benzyl-3-(ethoxymethyl)-6-(hydroxymethyl)-5,6-dihydrofuro[2,3-d]pyrimidin-2-one?
4-benzyl-3-(ethoxymethyl)-6-(hydroxymethyl)-5,6-dihydrofuro[2,3-d]pyrimidin-2-one has a molecular weight of 316.36 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-(ethoxymethyl)-6-(hydroxymethyl)-5,6-dihydrofuro[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 10958053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).