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

C14H21N5O2 — CID 71339758

IUPAC[5-[6-(diethylamino)purin-9-yl]oxolan-2-yl]methanol
SMILESCCN(CC)c1ncnc2c1ncn2C1CCC(CO)O1
InChIInChI=1S/C14H21N5O2/c1-3-18(4-2)13-12-14(16-8-15-13)19(9-17-12)11-6-5-10(7-20)21-11/h8-11,20H,3-7H2,1-2H3
InChIKeyNOOVTHQNOQTLPR-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.34
Rot. Bonds5

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

[5-[6-(diethylamino)purin-9-yl]oxolan-2-yl]methanol (PubChem CID 71339758) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is [5-[6-(diethylamino)purin-9-yl]oxolan-2-yl]methanol.

Molecular Properties

Compound Name[5-[6-(diethylamino)purin-9-yl]oxolan-2-yl]methanol
PubChem CID71339758
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC Name[5-[6-(diethylamino)purin-9-yl]oxolan-2-yl]methanol
SMILESCCN(CC)c1ncnc2c1ncn2C1CCC(CO)O1
InChIInChI=1S/C14H21N5O2/c1-3-18(4-2)13-12-14(16-8-15-13)19(9-17-12)11-6-5-10(7-20)21-11/h8-11,20H,3-7H2,1-2H3
InChIKeyNOOVTHQNOQTLPR-UHFFFAOYSA-N
XLogP1.34
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[(5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methanol
CID 135258304
[(2S,5S)-5-(6-fluoropurin-9-yl)oxolan-2-yl]methanol
CID 67868000
acetylene;[5-(6-aminopurin-9-yl)oxolan-2-yl]methanol;methanol
CID 165130368
[(2S,5R)-5-(6-hydrazinylpurin-9-yl)oxolan-2-yl]methanol
CID 135258315
[(2S,5R)-5-(6-nitrosopurin-9-yl)oxolan-2-yl]methanol
CID 57107632
[dibromo-[[[5-[6-(diethylamino)purin-9-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]methyl]phosphonic acid
CID 88958813
[(2R,5R)-5-[6-(cyclohexylamino)purin-9-yl]oxolan-2-yl]methanol
CID 54592375
[5-[6-(prop-2-ynylamino)purin-9-yl]oxolan-2-yl]methanol
CID 142808553
N-[9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]henicosanamide
CID 139604643
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]octadecanamide
CID 139604638

Frequently Asked Questions

What is the IUPAC name of [5-[6-(diethylamino)purin-9-yl]oxolan-2-yl]methanol?
The IUPAC name of [5-[6-(diethylamino)purin-9-yl]oxolan-2-yl]methanol (CID 71339758) is [5-[6-(diethylamino)purin-9-yl]oxolan-2-yl]methanol.
What is the SMILES notation for [5-[6-(diethylamino)purin-9-yl]oxolan-2-yl]methanol?
The canonical SMILES for [5-[6-(diethylamino)purin-9-yl]oxolan-2-yl]methanol is CCN(CC)c1ncnc2c1ncn2C1CCC(CO)O1.
What is the InChIKey of [5-[6-(diethylamino)purin-9-yl]oxolan-2-yl]methanol?
The InChIKey is NOOVTHQNOQTLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-3-18(4-2)13-12-14(16-8-15-13)19(9-17-12)11-6-5-10(7-20)21-11/h8-11,20H,3-7H2,1-2H3.
What are the key properties of [5-[6-(diethylamino)purin-9-yl]oxolan-2-yl]methanol?
[5-[6-(diethylamino)purin-9-yl]oxolan-2-yl]methanol has a molecular weight of 291.35 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[6-(diethylamino)purin-9-yl]oxolan-2-yl]methanol is sourced from PubChem (CID 71339758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).