[5-(6-methylpurin-9-yl)-2,5-dihydrofuran-2-yl]methanol

C11H12N4O2 — CID 59380884

IUPAC[5-(6-methylpurin-9-yl)-2,5-dihydrofuran-2-yl]methanol
SMILESCc1ncnc2c1ncn2C1C=CC(CO)O1
InChIInChI=1S/C11H12N4O2/c1-7-10-11(13-5-12-7)15(6-14-10)9-3-2-8(4-16)17-9/h2-3,5-6,8-9,16H,4H2,1H3
InChIKeyZXJIVGNTXNIZFV-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.58
Rot. Bonds2

About [5-(6-methylpurin-9-yl)-2,5-dihydrofuran-2-yl]methanol

[5-(6-methylpurin-9-yl)-2,5-dihydrofuran-2-yl]methanol (PubChem CID 59380884) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is [5-(6-methylpurin-9-yl)-2,5-dihydrofuran-2-yl]methanol.

Molecular Properties

Compound Name[5-(6-methylpurin-9-yl)-2,5-dihydrofuran-2-yl]methanol
PubChem CID59380884
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name[5-(6-methylpurin-9-yl)-2,5-dihydrofuran-2-yl]methanol
SMILESCc1ncnc2c1ncn2C1C=CC(CO)O1
InChIInChI=1S/C11H12N4O2/c1-7-10-11(13-5-12-7)15(6-14-10)9-3-2-8(4-16)17-9/h2-3,5-6,8-9,16H,4H2,1H3
InChIKeyZXJIVGNTXNIZFV-UHFFFAOYSA-N
XLogP0.58
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(2S,5R)-5-[6-[(2-methylphenyl)methylamino]purin-9-yl]-2,5-dihydrofuran-2-yl]methanol
CID 57103058
[(2S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2,5-dihydrofuran-2-yl]methanol
CID 15172905
[(2S)-5-[6-(methylamino)purin-9-yl]-2,5-dihydrofuran-2-yl]methanethiol
CID 59949014
[(2R,5S)-5-(6-amino-2-fluoropurin-9-yl)-2,5-dihydrofuran-2-yl]methanol
CID 15172904
[(2S,5R)-5-(2-amino-6-methoxypurin-9-yl)-2,5-dihydrofuran-2-yl]methanol
CID 10611561
(2R,3R,4S,5R)-5-(hydroxymethyl)-3-methyl-2-(6-methylpurin-9-yl)oxolane-3,4-diol
CID 58691067
[(2S,3R,5R)-3-amino-5-(6-methylpurin-9-yl)oxolan-2-yl]methanol
CID 58834008
2-amino-9-[(5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-1H-purin-6-one
CID 137240768
[(2S,5R)-5-[2-amino-6-(aziridin-1-yl)purin-9-yl]-2,5-dihydrofuran-2-yl]methanol
CID 56967780
(2R,3R,4S,5S)-2-(6-methylpurin-9-yl)-5-(2H-thiet-2-yl)oxolane-3,4-diol
CID 69219762
(2R,3R,4S,5S,6R)-2-methyl-6-(6-methylpurin-9-yl)oxane-3,4,5-triol
CID 46181794
(2R,3S,4S,6R)-2-methyl-6-(6-methylpurin-9-yl)oxane-3,4-diol
CID 46181793

Frequently Asked Questions

What is the IUPAC name of [5-(6-methylpurin-9-yl)-2,5-dihydrofuran-2-yl]methanol?
The IUPAC name of [5-(6-methylpurin-9-yl)-2,5-dihydrofuran-2-yl]methanol (CID 59380884) is [5-(6-methylpurin-9-yl)-2,5-dihydrofuran-2-yl]methanol.
What is the SMILES notation for [5-(6-methylpurin-9-yl)-2,5-dihydrofuran-2-yl]methanol?
The canonical SMILES for [5-(6-methylpurin-9-yl)-2,5-dihydrofuran-2-yl]methanol is Cc1ncnc2c1ncn2C1C=CC(CO)O1.
What is the InChIKey of [5-(6-methylpurin-9-yl)-2,5-dihydrofuran-2-yl]methanol?
The InChIKey is ZXJIVGNTXNIZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-7-10-11(13-5-12-7)15(6-14-10)9-3-2-8(4-16)17-9/h2-3,5-6,8-9,16H,4H2,1H3.
What are the key properties of [5-(6-methylpurin-9-yl)-2,5-dihydrofuran-2-yl]methanol?
[5-(6-methylpurin-9-yl)-2,5-dihydrofuran-2-yl]methanol has a molecular weight of 232.24 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(6-methylpurin-9-yl)-2,5-dihydrofuran-2-yl]methanol is sourced from PubChem (CID 59380884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).