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6-(oxan-2-yloxymethyl)-1H-furo[2,3-d]pyrimidin-2-one

C12H14N2O4 — CID 141036139

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-(oxan-2-yloxymethyl)-1H-furo[2,3-d]pyrimidin-2-one
SMILESO=c1ncc2cc(COC3CCCCO3)oc2[nH]1
InChIInChI=1S/C12H14N2O4/c15-12-13-6-8-5-9(18-11(8)14-12)7-17-10-3-1-2-4-16-10/h5-6,10H,1-4,7H2,(H,13,14,15)
InChIKeyAVVVPTXXEFZWCR-UHFFFAOYSA-N
MW250.25 g/mol
LogP1.56
Rot. Bonds3

About 6-(oxan-2-yloxymethyl)-1H-furo[2,3-d]pyrimidin-2-one

6-(oxan-2-yloxymethyl)-1H-furo[2,3-d]pyrimidin-2-one (PubChem CID 141036139) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 6-(oxan-2-yloxymethyl)-1H-furo[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name6-(oxan-2-yloxymethyl)-1H-furo[2,3-d]pyrimidin-2-one
PubChem CID141036139
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name6-(oxan-2-yloxymethyl)-1H-furo[2,3-d]pyrimidin-2-one
SMILESO=c1ncc2cc(COC3CCCCO3)oc2[nH]1
InChIInChI=1S/C12H14N2O4/c15-12-13-6-8-5-9(18-11(8)14-12)7-17-10-3-1-2-4-16-10/h5-6,10H,1-4,7H2,(H,13,14,15)
InChIKeyAVVVPTXXEFZWCR-UHFFFAOYSA-N
XLogP1.56
TPSA77.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(oxan-2-yloxymethyl)-1H-furo[2,3-d]pyrimidin-2-one?
The IUPAC name of 6-(oxan-2-yloxymethyl)-1H-furo[2,3-d]pyrimidin-2-one (CID 141036139) is 6-(oxan-2-yloxymethyl)-1H-furo[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 6-(oxan-2-yloxymethyl)-1H-furo[2,3-d]pyrimidin-2-one?
The canonical SMILES for 6-(oxan-2-yloxymethyl)-1H-furo[2,3-d]pyrimidin-2-one is O=c1ncc2cc(COC3CCCCO3)oc2[nH]1.
What is the InChIKey of 6-(oxan-2-yloxymethyl)-1H-furo[2,3-d]pyrimidin-2-one?
The InChIKey is AVVVPTXXEFZWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c15-12-13-6-8-5-9(18-11(8)14-12)7-17-10-3-1-2-4-16-10/h5-6,10H,1-4,7H2,(H,13,14,15).
What are the key properties of 6-(oxan-2-yloxymethyl)-1H-furo[2,3-d]pyrimidin-2-one?
6-(oxan-2-yloxymethyl)-1H-furo[2,3-d]pyrimidin-2-one has a molecular weight of 250.25 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxan-2-yloxymethyl)-1H-furo[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 141036139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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