6-[(5-methylfuran-2-yl)methoxy]-7H-purine

C11H10N4O2 — CID 123562791

IUPAC6-[(5-methylfuran-2-yl)methoxy]-7H-purine
SMILESCc1ccc(COc2ncnc3nc[nH]c23)o1
InChIInChI=1S/C11H10N4O2/c1-7-2-3-8(17-7)4-16-11-9-10(13-5-12-9)14-6-15-11/h2-3,5-6H,4H2,1H3,(H,12,13,14,15)
InChIKeyVSSUGMLXQROBDW-UHFFFAOYSA-N
MW230.23 g/mol
LogP1.83
Rot. Bonds3

About 6-[(5-methylfuran-2-yl)methoxy]-7H-purine

6-[(5-methylfuran-2-yl)methoxy]-7H-purine (PubChem CID 123562791) has the molecular formula C11H10N4O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 6-[(5-methylfuran-2-yl)methoxy]-7H-purine.

Molecular Properties

Compound Name6-[(5-methylfuran-2-yl)methoxy]-7H-purine
PubChem CID123562791
Molecular FormulaC11H10N4O2
Molecular Weight230.23 g/mol
Exact Mass230.08
IUPAC Name6-[(5-methylfuran-2-yl)methoxy]-7H-purine
SMILESCc1ccc(COc2ncnc3nc[nH]c23)o1
InChIInChI=1S/C11H10N4O2/c1-7-2-3-8(17-7)4-16-11-9-10(13-5-12-9)14-6-15-11/h2-3,5-6H,4H2,1H3,(H,12,13,14,15)
InChIKeyVSSUGMLXQROBDW-UHFFFAOYSA-N
XLogP1.83
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-methylfuran-2-yl)methoxy]-7H-purine?
The IUPAC name of 6-[(5-methylfuran-2-yl)methoxy]-7H-purine (CID 123562791) is 6-[(5-methylfuran-2-yl)methoxy]-7H-purine.
What is the SMILES notation for 6-[(5-methylfuran-2-yl)methoxy]-7H-purine?
The canonical SMILES for 6-[(5-methylfuran-2-yl)methoxy]-7H-purine is Cc1ccc(COc2ncnc3nc[nH]c23)o1.
What is the InChIKey of 6-[(5-methylfuran-2-yl)methoxy]-7H-purine?
The InChIKey is VSSUGMLXQROBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2/c1-7-2-3-8(17-7)4-16-11-9-10(13-5-12-9)14-6-15-11/h2-3,5-6H,4H2,1H3,(H,12,13,14,15).
What are the key properties of 6-[(5-methylfuran-2-yl)methoxy]-7H-purine?
6-[(5-methylfuran-2-yl)methoxy]-7H-purine has a molecular weight of 230.23 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-methylfuran-2-yl)methoxy]-7H-purine is sourced from PubChem (CID 123562791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).