3-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,6-dihydrofuro[2,3-d]pyrimidin-2-one

C11H14N2O5 — CID 22211371

IUPAC3-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,6-dihydrofuro[2,3-d]pyrimidin-2-one
SMILESO=c1nc2c(cn1C1CC(O)C(CO)O1)CCO2
InChIInChI=1S/C11H14N2O5/c14-5-8-7(15)3-9(18-8)13-4-6-1-2-17-10(6)12-11(13)16/h4,7-9,14-15H,1-3,5H2
InChIKeyQCIBQMMNYYRIGG-UHFFFAOYSA-N
MW254.24 g/mol
LogP-1.18
Rot. Bonds2

About 3-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,6-dihydrofuro[2,3-d]pyrimidin-2-one

3-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,6-dihydrofuro[2,3-d]pyrimidin-2-one (PubChem CID 22211371) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is 3-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,6-dihydrofuro[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name3-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,6-dihydrofuro[2,3-d]pyrimidin-2-one
PubChem CID22211371
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name3-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,6-dihydrofuro[2,3-d]pyrimidin-2-one
SMILESO=c1nc2c(cn1C1CC(O)C(CO)O1)CCO2
InChIInChI=1S/C11H14N2O5/c14-5-8-7(15)3-9(18-8)13-4-6-1-2-17-10(6)12-11(13)16/h4,7-9,14-15H,1-3,5H2
InChIKeyQCIBQMMNYYRIGG-UHFFFAOYSA-N
XLogP-1.18
TPSA93.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,6-dihydrofuro[2,3-d]pyrimidin-2-one with MolForge

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Related Compounds

3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-[3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxofuro[2,3-d]pyrimidin-6-yl]furo[2,3-d]pyrimidin-2-one
CID 101488425
1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-4-pyrrolidin-1-ylpyrimidin-2-one
CID 165413697
4-amino-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one;ethane
CID 144939654
4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-phenylpyrimidin-2-one
CID 5274196
4-amino-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidine-5-carboxylic acid
CID 23112726
4-(hydroxyamino)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one
CID 10540173
2-[4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-5-yl]acetic acid
CID 54053326
(5S)-5-hydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-one
CID 135524227
4-amino-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]-1,3,5-triazin-2-one
CID 76973346
4-amino-5-ethynyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 139061383
5-acetyl-4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 72736985
4-(15N)azanyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl](2,4,5,6-13C4,1,3-15N2)pyrimidin-2-one
CID 123353107

Frequently Asked Questions

What is the IUPAC name of 3-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,6-dihydrofuro[2,3-d]pyrimidin-2-one?
The IUPAC name of 3-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,6-dihydrofuro[2,3-d]pyrimidin-2-one (CID 22211371) is 3-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,6-dihydrofuro[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 3-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,6-dihydrofuro[2,3-d]pyrimidin-2-one?
The canonical SMILES for 3-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,6-dihydrofuro[2,3-d]pyrimidin-2-one is O=c1nc2c(cn1C1CC(O)C(CO)O1)CCO2.
What is the InChIKey of 3-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,6-dihydrofuro[2,3-d]pyrimidin-2-one?
The InChIKey is QCIBQMMNYYRIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5/c14-5-8-7(15)3-9(18-8)13-4-6-1-2-17-10(6)12-11(13)16/h4,7-9,14-15H,1-3,5H2.
What are the key properties of 3-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,6-dihydrofuro[2,3-d]pyrimidin-2-one?
3-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,6-dihydrofuro[2,3-d]pyrimidin-2-one has a molecular weight of 254.24 g/mol, XLogP of -1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,6-dihydrofuro[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 22211371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).