9-(5-methylfuran-2-yl)-1H-purin-6-one

C10H8N4O2 — CID 137208137

IUPAC9-(5-methylfuran-2-yl)-1H-purin-6-one
SMILESCc1ccc(-n2cnc3c(=O)[nH]cnc32)o1
InChIInChI=1S/C10H8N4O2/c1-6-2-3-7(16-6)14-5-13-8-9(14)11-4-12-10(8)15/h2-5H,1H3,(H,11,12,15)
InChIKeyGTGAZGQCINJILU-UHFFFAOYSA-N
MW216.20 g/mol
LogP1.01
Rot. Bonds1

About 9-(5-methylfuran-2-yl)-1H-purin-6-one

9-(5-methylfuran-2-yl)-1H-purin-6-one (PubChem CID 137208137) has the molecular formula C10H8N4O2 and a molecular weight of 216.20 g/mol. Its IUPAC name is 9-(5-methylfuran-2-yl)-1H-purin-6-one.

Molecular Properties

Compound Name9-(5-methylfuran-2-yl)-1H-purin-6-one
PubChem CID137208137
Molecular FormulaC10H8N4O2
Molecular Weight216.20 g/mol
Exact Mass216.06
IUPAC Name9-(5-methylfuran-2-yl)-1H-purin-6-one
SMILESCc1ccc(-n2cnc3c(=O)[nH]cnc32)o1
InChIInChI=1S/C10H8N4O2/c1-6-2-3-7(16-6)14-5-13-8-9(14)11-4-12-10(8)15/h2-5H,1H3,(H,11,12,15)
InChIKeyGTGAZGQCINJILU-UHFFFAOYSA-N
XLogP1.01
TPSA76.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(5-methylfuran-2-yl)-1H-purin-6-one?
The IUPAC name of 9-(5-methylfuran-2-yl)-1H-purin-6-one (CID 137208137) is 9-(5-methylfuran-2-yl)-1H-purin-6-one.
What is the SMILES notation for 9-(5-methylfuran-2-yl)-1H-purin-6-one?
The canonical SMILES for 9-(5-methylfuran-2-yl)-1H-purin-6-one is Cc1ccc(-n2cnc3c(=O)[nH]cnc32)o1.
What is the InChIKey of 9-(5-methylfuran-2-yl)-1H-purin-6-one?
The InChIKey is GTGAZGQCINJILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O2/c1-6-2-3-7(16-6)14-5-13-8-9(14)11-4-12-10(8)15/h2-5H,1H3,(H,11,12,15).
What are the key properties of 9-(5-methylfuran-2-yl)-1H-purin-6-one?
9-(5-methylfuran-2-yl)-1H-purin-6-one has a molecular weight of 216.20 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-methylfuran-2-yl)-1H-purin-6-one is sourced from PubChem (CID 137208137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).