6-[2-(furan-2-yl)ethyl]-9-(oxan-2-yl)purine

C16H18N4O2 — CID 118310061

IUPAC6-[2-(furan-2-yl)ethyl]-9-(oxan-2-yl)purine
SMILESc1coc(CCc2ncnc3c2ncn3C2CCCCO2)c1
InChIInChI=1S/C16H18N4O2/c1-2-8-22-14(5-1)20-11-19-15-13(17-10-18-16(15)20)7-6-12-4-3-9-21-12/h3-4,9-11,14H,1-2,5-8H2
InChIKeyAIJCVNPKNGSKME-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.90
Rot. Bonds4

About 6-[2-(furan-2-yl)ethyl]-9-(oxan-2-yl)purine

6-[2-(furan-2-yl)ethyl]-9-(oxan-2-yl)purine (PubChem CID 118310061) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 6-[2-(furan-2-yl)ethyl]-9-(oxan-2-yl)purine.

Molecular Properties

Compound Name6-[2-(furan-2-yl)ethyl]-9-(oxan-2-yl)purine
PubChem CID118310061
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name6-[2-(furan-2-yl)ethyl]-9-(oxan-2-yl)purine
SMILESc1coc(CCc2ncnc3c2ncn3C2CCCCO2)c1
InChIInChI=1S/C16H18N4O2/c1-2-8-22-14(5-1)20-11-19-15-13(17-10-18-16(15)20)7-6-12-4-3-9-21-12/h3-4,9-11,14H,1-2,5-8H2
InChIKeyAIJCVNPKNGSKME-UHFFFAOYSA-N
XLogP2.90
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(furan-2-yl)ethyl]-9-(oxan-2-yl)purine?
The IUPAC name of 6-[2-(furan-2-yl)ethyl]-9-(oxan-2-yl)purine (CID 118310061) is 6-[2-(furan-2-yl)ethyl]-9-(oxan-2-yl)purine.
What is the SMILES notation for 6-[2-(furan-2-yl)ethyl]-9-(oxan-2-yl)purine?
The canonical SMILES for 6-[2-(furan-2-yl)ethyl]-9-(oxan-2-yl)purine is c1coc(CCc2ncnc3c2ncn3C2CCCCO2)c1.
What is the InChIKey of 6-[2-(furan-2-yl)ethyl]-9-(oxan-2-yl)purine?
The InChIKey is AIJCVNPKNGSKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-2-8-22-14(5-1)20-11-19-15-13(17-10-18-16(15)20)7-6-12-4-3-9-21-12/h3-4,9-11,14H,1-2,5-8H2.
What are the key properties of 6-[2-(furan-2-yl)ethyl]-9-(oxan-2-yl)purine?
6-[2-(furan-2-yl)ethyl]-9-(oxan-2-yl)purine has a molecular weight of 298.35 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(furan-2-yl)ethyl]-9-(oxan-2-yl)purine is sourced from PubChem (CID 118310061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).