6-(furan-2-yl)-1-(2-methoxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

C12H12N4O3 — CID 154363665

IUPAC6-(furan-2-yl)-1-(2-methoxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCOCCn1ncc2c(=O)[nH]c(-c3ccco3)nc21
InChIInChI=1S/C12H12N4O3/c1-18-6-4-16-11-8(7-13-16)12(17)15-10(14-11)9-3-2-5-19-9/h2-3,5,7H,4,6H2,1H3,(H,14,15,17)
InChIKeyOBDZULSQLUWVCA-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.03
Rot. Bonds4

About 6-(furan-2-yl)-1-(2-methoxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-(furan-2-yl)-1-(2-methoxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 154363665) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is 6-(furan-2-yl)-1-(2-methoxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(furan-2-yl)-1-(2-methoxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID154363665
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name6-(furan-2-yl)-1-(2-methoxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCOCCn1ncc2c(=O)[nH]c(-c3ccco3)nc21
InChIInChI=1S/C12H12N4O3/c1-18-6-4-16-11-8(7-13-16)12(17)15-10(14-11)9-3-2-5-19-9/h2-3,5,7H,4,6H2,1H3,(H,14,15,17)
InChIKeyOBDZULSQLUWVCA-UHFFFAOYSA-N
XLogP1.03
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-1-(2-methoxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-(furan-2-yl)-1-(2-methoxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 154363665) is 6-(furan-2-yl)-1-(2-methoxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-(furan-2-yl)-1-(2-methoxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-(furan-2-yl)-1-(2-methoxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is COCCn1ncc2c(=O)[nH]c(-c3ccco3)nc21.
What is the InChIKey of 6-(furan-2-yl)-1-(2-methoxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is OBDZULSQLUWVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c1-18-6-4-16-11-8(7-13-16)12(17)15-10(14-11)9-3-2-5-19-9/h2-3,5,7H,4,6H2,1H3,(H,14,15,17).
What are the key properties of 6-(furan-2-yl)-1-(2-methoxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-(furan-2-yl)-1-(2-methoxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 260.25 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-1-(2-methoxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 154363665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).