[5-[6-(prop-2-ynylamino)purin-9-yl]oxolan-2-yl]methanol

C13H15N5O2 — CID 142808553

IUPAC[5-[6-(prop-2-ynylamino)purin-9-yl]oxolan-2-yl]methanol
SMILESC#CCNc1ncnc2c1ncn2C1CCC(CO)O1
InChIInChI=1S/C13H15N5O2/c1-2-5-14-12-11-13(16-7-15-12)18(8-17-11)10-4-3-9(6-19)20-10/h1,7-10,19H,3-6H2,(H,14,15,16)
InChIKeyMWDMKEVAXOLJOK-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.54
Rot. Bonds4

About [5-[6-(prop-2-ynylamino)purin-9-yl]oxolan-2-yl]methanol

[5-[6-(prop-2-ynylamino)purin-9-yl]oxolan-2-yl]methanol (PubChem CID 142808553) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is [5-[6-(prop-2-ynylamino)purin-9-yl]oxolan-2-yl]methanol.

Molecular Properties

Compound Name[5-[6-(prop-2-ynylamino)purin-9-yl]oxolan-2-yl]methanol
PubChem CID142808553
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name[5-[6-(prop-2-ynylamino)purin-9-yl]oxolan-2-yl]methanol
SMILESC#CCNc1ncnc2c1ncn2C1CCC(CO)O1
InChIInChI=1S/C13H15N5O2/c1-2-5-14-12-11-13(16-7-15-12)18(8-17-11)10-4-3-9(6-19)20-10/h1,7-10,19H,3-6H2,(H,14,15,16)
InChIKeyMWDMKEVAXOLJOK-UHFFFAOYSA-N
XLogP0.54
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[(2S,5R)-5-(6-hydrazinylpurin-9-yl)oxolan-2-yl]methanol
CID 135258315
[(2R,5R)-5-[6-(cyclohexylamino)purin-9-yl]oxolan-2-yl]methanol
CID 54592375
[(5R)-5-[6-(benzylamino)purin-9-yl]oxolan-2-yl]methanol
CID 142470459
[5-[6-[(2-methyl-2-phenylpropyl)amino]purin-9-yl]oxolan-2-yl]methanol
CID 123399954
acetylene;[5-(6-aminopurin-9-yl)oxolan-2-yl]methanol;methanol
CID 165130368
[(2S,5S)-5-(6-fluoropurin-9-yl)oxolan-2-yl]methanol
CID 67868000
[(5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methanol
CID 135258304
[5-[6-(diethylamino)purin-9-yl]oxolan-2-yl]methanol
CID 71339758
N-[9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]octadecanamide
CID 139604638
N-[9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]tridecanamide
CID 139604655
N-[9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]docosanamide
CID 139604656
N-[9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]henicosanamide
CID 139604643

Frequently Asked Questions

What is the IUPAC name of [5-[6-(prop-2-ynylamino)purin-9-yl]oxolan-2-yl]methanol?
The IUPAC name of [5-[6-(prop-2-ynylamino)purin-9-yl]oxolan-2-yl]methanol (CID 142808553) is [5-[6-(prop-2-ynylamino)purin-9-yl]oxolan-2-yl]methanol.
What is the SMILES notation for [5-[6-(prop-2-ynylamino)purin-9-yl]oxolan-2-yl]methanol?
The canonical SMILES for [5-[6-(prop-2-ynylamino)purin-9-yl]oxolan-2-yl]methanol is C#CCNc1ncnc2c1ncn2C1CCC(CO)O1.
What is the InChIKey of [5-[6-(prop-2-ynylamino)purin-9-yl]oxolan-2-yl]methanol?
The InChIKey is MWDMKEVAXOLJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-2-5-14-12-11-13(16-7-15-12)18(8-17-11)10-4-3-9(6-19)20-10/h1,7-10,19H,3-6H2,(H,14,15,16).
What are the key properties of [5-[6-(prop-2-ynylamino)purin-9-yl]oxolan-2-yl]methanol?
[5-[6-(prop-2-ynylamino)purin-9-yl]oxolan-2-yl]methanol has a molecular weight of 273.30 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[6-(prop-2-ynylamino)purin-9-yl]oxolan-2-yl]methanol is sourced from PubChem (CID 142808553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).