9-(3-fluoro-2,3-dihydrofuran-2-yl)-6-methoxy-7,8-dihydropurine

C10H11FN4O2 — CID 171628998

IUPAC9-(3-fluoro-2,3-dihydrofuran-2-yl)-6-methoxy-7,8-dihydropurine
SMILESCOc1ncnc2c1NCN2C1OC=CC1F
InChIInChI=1S/C10H11FN4O2/c1-16-9-7-8(12-4-13-9)15(5-14-7)10-6(11)2-3-17-10/h2-4,6,10,14H,5H2,1H3
InChIKeyIHBNRYATYCUFPN-UHFFFAOYSA-N
MW238.22 g/mol
LogP0.88
Rot. Bonds2

About 9-(3-fluoro-2,3-dihydrofuran-2-yl)-6-methoxy-7,8-dihydropurine

9-(3-fluoro-2,3-dihydrofuran-2-yl)-6-methoxy-7,8-dihydropurine (PubChem CID 171628998) has the molecular formula C10H11FN4O2 and a molecular weight of 238.22 g/mol. Its IUPAC name is 9-(3-fluoro-2,3-dihydrofuran-2-yl)-6-methoxy-7,8-dihydropurine.

Molecular Properties

Compound Name9-(3-fluoro-2,3-dihydrofuran-2-yl)-6-methoxy-7,8-dihydropurine
PubChem CID171628998
Molecular FormulaC10H11FN4O2
Molecular Weight238.22 g/mol
Exact Mass238.09
IUPAC Name9-(3-fluoro-2,3-dihydrofuran-2-yl)-6-methoxy-7,8-dihydropurine
SMILESCOc1ncnc2c1NCN2C1OC=CC1F
InChIInChI=1S/C10H11FN4O2/c1-16-9-7-8(12-4-13-9)15(5-14-7)10-6(11)2-3-17-10/h2-4,6,10,14H,5H2,1H3
InChIKeyIHBNRYATYCUFPN-UHFFFAOYSA-N
XLogP0.88
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-(3-fluoro-2,3-dihydrofuran-2-yl)-6-methoxy-7,8-dihydropurine?
The IUPAC name of 9-(3-fluoro-2,3-dihydrofuran-2-yl)-6-methoxy-7,8-dihydropurine (CID 171628998) is 9-(3-fluoro-2,3-dihydrofuran-2-yl)-6-methoxy-7,8-dihydropurine.
What is the SMILES notation for 9-(3-fluoro-2,3-dihydrofuran-2-yl)-6-methoxy-7,8-dihydropurine?
The canonical SMILES for 9-(3-fluoro-2,3-dihydrofuran-2-yl)-6-methoxy-7,8-dihydropurine is COc1ncnc2c1NCN2C1OC=CC1F.
What is the InChIKey of 9-(3-fluoro-2,3-dihydrofuran-2-yl)-6-methoxy-7,8-dihydropurine?
The InChIKey is IHBNRYATYCUFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O2/c1-16-9-7-8(12-4-13-9)15(5-14-7)10-6(11)2-3-17-10/h2-4,6,10,14H,5H2,1H3.
What are the key properties of 9-(3-fluoro-2,3-dihydrofuran-2-yl)-6-methoxy-7,8-dihydropurine?
9-(3-fluoro-2,3-dihydrofuran-2-yl)-6-methoxy-7,8-dihydropurine has a molecular weight of 238.22 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-fluoro-2,3-dihydrofuran-2-yl)-6-methoxy-7,8-dihydropurine is sourced from PubChem (CID 171628998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).