[5-[6-[(2-methyl-2-phenylpropyl)amino]purin-9-yl]oxolan-2-yl]methanol

C20H25N5O2 — CID 123399954

IUPAC[5-[6-[(2-methyl-2-phenylpropyl)amino]purin-9-yl]oxolan-2-yl]methanol
SMILESCC(C)(CNc1ncnc2c1ncn2C1CCC(CO)O1)c1ccccc1
InChIInChI=1S/C20H25N5O2/c1-20(2,14-6-4-3-5-7-14)11-21-18-17-19(23-12-22-18)25(13-24-17)16-9-8-15(10-26)27-16/h3-7,12-13,15-16,26H,8-11H2,1-2H3,(H,21,22,23)
InChIKeyLPELZOXHSREEOP-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.89
Rot. Bonds6

About [5-[6-[(2-methyl-2-phenylpropyl)amino]purin-9-yl]oxolan-2-yl]methanol

[5-[6-[(2-methyl-2-phenylpropyl)amino]purin-9-yl]oxolan-2-yl]methanol (PubChem CID 123399954) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is [5-[6-[(2-methyl-2-phenylpropyl)amino]purin-9-yl]oxolan-2-yl]methanol.

Molecular Properties

Compound Name[5-[6-[(2-methyl-2-phenylpropyl)amino]purin-9-yl]oxolan-2-yl]methanol
PubChem CID123399954
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name[5-[6-[(2-methyl-2-phenylpropyl)amino]purin-9-yl]oxolan-2-yl]methanol
SMILESCC(C)(CNc1ncnc2c1ncn2C1CCC(CO)O1)c1ccccc1
InChIInChI=1S/C20H25N5O2/c1-20(2,14-6-4-3-5-7-14)11-21-18-17-19(23-12-22-18)25(13-24-17)16-9-8-15(10-26)27-16/h3-7,12-13,15-16,26H,8-11H2,1-2H3,(H,21,22,23)
InChIKeyLPELZOXHSREEOP-UHFFFAOYSA-N
XLogP2.89
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [5-[6-[(2-methyl-2-phenylpropyl)amino]purin-9-yl]oxolan-2-yl]methanol with MolForge

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Related Compounds

[(5R)-5-[6-(benzylamino)purin-9-yl]oxolan-2-yl]methanol
CID 142470459
[5-[6-(prop-2-ynylamino)purin-9-yl]oxolan-2-yl]methanol
CID 142808553
[(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
N-[9-[(2R,6S)-6-(hydroxymethyl)-4-tritylmorpholin-2-yl]purin-6-yl]acetamide
CID 166591210
[(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
[(2S,5R)-5-(6-nitrosopurin-9-yl)oxolan-2-yl]methanol
CID 57107632
[5-[6-(2,2-diphenylethylamino)-2-methylpurin-9-yl]oxolan-2-yl]methanol
CID 142032624
acetylene;[5-(6-aminopurin-9-yl)oxolan-2-yl]methanol;methanol
CID 165130368
[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

Frequently Asked Questions

What is the IUPAC name of [5-[6-[(2-methyl-2-phenylpropyl)amino]purin-9-yl]oxolan-2-yl]methanol?
The IUPAC name of [5-[6-[(2-methyl-2-phenylpropyl)amino]purin-9-yl]oxolan-2-yl]methanol (CID 123399954) is [5-[6-[(2-methyl-2-phenylpropyl)amino]purin-9-yl]oxolan-2-yl]methanol.
What is the SMILES notation for [5-[6-[(2-methyl-2-phenylpropyl)amino]purin-9-yl]oxolan-2-yl]methanol?
The canonical SMILES for [5-[6-[(2-methyl-2-phenylpropyl)amino]purin-9-yl]oxolan-2-yl]methanol is CC(C)(CNc1ncnc2c1ncn2C1CCC(CO)O1)c1ccccc1.
What is the InChIKey of [5-[6-[(2-methyl-2-phenylpropyl)amino]purin-9-yl]oxolan-2-yl]methanol?
The InChIKey is LPELZOXHSREEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-20(2,14-6-4-3-5-7-14)11-21-18-17-19(23-12-22-18)25(13-24-17)16-9-8-15(10-26)27-16/h3-7,12-13,15-16,26H,8-11H2,1-2H3,(H,21,22,23).
What are the key properties of [5-[6-[(2-methyl-2-phenylpropyl)amino]purin-9-yl]oxolan-2-yl]methanol?
[5-[6-[(2-methyl-2-phenylpropyl)amino]purin-9-yl]oxolan-2-yl]methanol has a molecular weight of 367.45 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[6-[(2-methyl-2-phenylpropyl)amino]purin-9-yl]oxolan-2-yl]methanol is sourced from PubChem (CID 123399954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).