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

C25H27N5O2 — CID 142032624

IUPAC[5-[6-(2,2-diphenylethylamino)-2-methylpurin-9-yl]oxolan-2-yl]methanol
SMILESCc1nc(NCC(c2ccccc2)c2ccccc2)c2ncn(C3CCC(CO)O3)c2n1
InChIInChI=1S/C25H27N5O2/c1-17-28-24(23-25(29-17)30(16-27-23)22-13-12-20(15-31)32-22)26-14-21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,16,20-22,31H,12-15H2,1H3,(H,26,28,29)
InChIKeyWOVKKAWNYGXPKN-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.05
Rot. Bonds7

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

[5-[6-(2,2-diphenylethylamino)-2-methylpurin-9-yl]oxolan-2-yl]methanol (PubChem CID 142032624) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is [5-[6-(2,2-diphenylethylamino)-2-methylpurin-9-yl]oxolan-2-yl]methanol.

Molecular Properties

Compound Name[5-[6-(2,2-diphenylethylamino)-2-methylpurin-9-yl]oxolan-2-yl]methanol
PubChem CID142032624
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC Name[5-[6-(2,2-diphenylethylamino)-2-methylpurin-9-yl]oxolan-2-yl]methanol
SMILESCc1nc(NCC(c2ccccc2)c2ccccc2)c2ncn(C3CCC(CO)O3)c2n1
InChIInChI=1S/C25H27N5O2/c1-17-28-24(23-25(29-17)30(16-27-23)22-13-12-20(15-31)32-22)26-14-21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,16,20-22,31H,12-15H2,1H3,(H,26,28,29)
InChIKeyWOVKKAWNYGXPKN-UHFFFAOYSA-N
XLogP4.05
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(2,2-diphenylethylamino)-9-[5-(hydroxymethyl)oxolan-2-yl]-N-(2-piperidin-1-ylethyl)purine-2-carboxamide
CID 142032604
[(2S)-5-(6-amino-2-methylpurin-9-yl)oxolan-2-yl]methanol
CID 143654262
[(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
(2R,3R,4S,5R)-2-[6-(2,2-diphenylethylamino)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 11848740
[(2S,5R)-5-(6-hydrazinylpurin-9-yl)oxolan-2-yl]methanol
CID 135258315
9-[5-(hydroxymethyl)oxolan-2-yl]-6-(naphthalen-1-ylmethylamino)purine-2-carbonitrile
CID 142057184
[5-[6-(prop-2-ynylamino)purin-9-yl]oxolan-2-yl]methanol
CID 142808553
N-[3-(dimethylamino)propyl]-6-(2,2-diphenylethylamino)-9-[5-(ethylcarbamoyl)oxolan-2-yl]purine-2-carboxamide
CID 142081087
[(2S,5R)-5-[2-amino-6-(cyclohexylamino)purin-9-yl]oxolan-2-yl]methanol
CID 56967848
[5-[6-(2-methylsulfanylethylamino)-2-(3,3,3-trifluoropropylsulfanyl)purin-9-yl]oxolan-2-yl]methanol
CID 153333045
(2R,3R,4S,5R)-2-[6-(2,2-diphenylethylamino)-2-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 11848321

Frequently Asked Questions

What is the IUPAC name of [5-[6-(2,2-diphenylethylamino)-2-methylpurin-9-yl]oxolan-2-yl]methanol?
The IUPAC name of [5-[6-(2,2-diphenylethylamino)-2-methylpurin-9-yl]oxolan-2-yl]methanol (CID 142032624) is [5-[6-(2,2-diphenylethylamino)-2-methylpurin-9-yl]oxolan-2-yl]methanol.
What is the SMILES notation for [5-[6-(2,2-diphenylethylamino)-2-methylpurin-9-yl]oxolan-2-yl]methanol?
The canonical SMILES for [5-[6-(2,2-diphenylethylamino)-2-methylpurin-9-yl]oxolan-2-yl]methanol is Cc1nc(NCC(c2ccccc2)c2ccccc2)c2ncn(C3CCC(CO)O3)c2n1.
What is the InChIKey of [5-[6-(2,2-diphenylethylamino)-2-methylpurin-9-yl]oxolan-2-yl]methanol?
The InChIKey is WOVKKAWNYGXPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2/c1-17-28-24(23-25(29-17)30(16-27-23)22-13-12-20(15-31)32-22)26-14-21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,16,20-22,31H,12-15H2,1H3,(H,26,28,29).
What are the key properties of [5-[6-(2,2-diphenylethylamino)-2-methylpurin-9-yl]oxolan-2-yl]methanol?
[5-[6-(2,2-diphenylethylamino)-2-methylpurin-9-yl]oxolan-2-yl]methanol has a molecular weight of 429.52 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[6-(2,2-diphenylethylamino)-2-methylpurin-9-yl]oxolan-2-yl]methanol is sourced from PubChem (CID 142032624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).