6-(2,2-diphenylethylamino)-9-[5-(hydroxymethyl)oxolan-2-yl]-N-(2-piperidin-1-ylethyl)purine-2-carboxamide

C32H39N7O3 — CID 142032604

IUPAC6-(2,2-diphenylethylamino)-9-[5-(hydroxymethyl)oxolan-2-yl]-N-(2-piperidin-1-ylethyl)purine-2-carboxamide
SMILESO=C(NCCN1CCCCC1)c1nc(NCC(c2ccccc2)c2ccccc2)c2ncn(C3CCC(CO)O3)c2n1
InChIInChI=1S/C32H39N7O3/c40-21-25-14-15-27(42-25)39-22-35-28-29(34-20-26(23-10-4-1-5-11-23)24-12-6-2-7-13-24)36-30(37-31(28)39)32(41)33-16-19-38-17-8-3-9-18-38/h1-2,4-7,10-13,22,25-27,40H,3,8-9,14-21H2,(H,33,41)(H,34,36,37)
InChIKeyOSEIWGFEZXXIBQ-UHFFFAOYSA-N
MW569.71 g/mol
LogP3.96
Rot. Bonds11

About 6-(2,2-diphenylethylamino)-9-[5-(hydroxymethyl)oxolan-2-yl]-N-(2-piperidin-1-ylethyl)purine-2-carboxamide

6-(2,2-diphenylethylamino)-9-[5-(hydroxymethyl)oxolan-2-yl]-N-(2-piperidin-1-ylethyl)purine-2-carboxamide (PubChem CID 142032604) has the molecular formula C32H39N7O3 and a molecular weight of 569.71 g/mol. Its IUPAC name is 6-(2,2-diphenylethylamino)-9-[5-(hydroxymethyl)oxolan-2-yl]-N-(2-piperidin-1-ylethyl)purine-2-carboxamide.

Molecular Properties

Compound Name6-(2,2-diphenylethylamino)-9-[5-(hydroxymethyl)oxolan-2-yl]-N-(2-piperidin-1-ylethyl)purine-2-carboxamide
PubChem CID142032604
Molecular FormulaC32H39N7O3
Molecular Weight569.71 g/mol
Exact Mass569.31
IUPAC Name6-(2,2-diphenylethylamino)-9-[5-(hydroxymethyl)oxolan-2-yl]-N-(2-piperidin-1-ylethyl)purine-2-carboxamide
SMILESO=C(NCCN1CCCCC1)c1nc(NCC(c2ccccc2)c2ccccc2)c2ncn(C3CCC(CO)O3)c2n1
InChIInChI=1S/C32H39N7O3/c40-21-25-14-15-27(42-25)39-22-35-28-29(34-20-26(23-10-4-1-5-11-23)24-12-6-2-7-13-24)36-30(37-31(28)39)32(41)33-16-19-38-17-8-3-9-18-38/h1-2,4-7,10-13,22,25-27,40H,3,8-9,14-21H2,(H,33,41)(H,34,36,37)
InChIKeyOSEIWGFEZXXIBQ-UHFFFAOYSA-N
XLogP3.96
TPSA117.43 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.71
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 6-(2,2-diphenylethylamino)-9-[5-(hydroxymethyl)oxolan-2-yl]-N-(2-piperidin-1-ylethyl)purine-2-carboxamide with MolForge

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Related Compounds

6-(2,2-diphenylethylamino)-9-[5-(ethylcarbamoyl)oxolan-2-yl]-N-[2-(4-methylpiperidin-1-yl)ethyl]purine-2-carboxamide
CID 142081097
9-[(3R,4S,5S)-3,4-dihydroxy-5-(propylcarbamoyl)oxolan-2-yl]-6-(2,2-diphenylethylamino)-N-(2-piperidin-1-ylethyl)purine-2-carboxamide
CID 142081111
[5-[6-(2,2-diphenylethylamino)-2-methylpurin-9-yl]oxolan-2-yl]methanol
CID 142032624
[(2S,3S,4R)-4-benzoyloxy-5-[6-(2,2-diphenylethylamino)-2-(2-piperidin-1-ylethylcarbamoyl)purin-9-yl]-2-(ethylcarbamoyl)oxolan-3-yl] benzoate
CID 142081109
1-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(2,2-diphenylethylamino)purin-2-yl]methyl]-3-(2-piperidin-1-ylethyl)urea
CID 10304705
6-(2,2-diphenylethylamino)-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]-N-[2-(4-methylpiperidin-1-yl)ethyl]purine-2-carboxamide
CID 10211725
N-[3-(dimethylamino)propyl]-6-(2,2-diphenylethylamino)-9-[5-(ethylcarbamoyl)oxolan-2-yl]purine-2-carboxamide
CID 142081087
(2S,3S,4R,5S)-5-[6-(2,2-diphenylethylamino)-2-(2-piperidin-1-ylethylamino)purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
CID 10348834
9-[(1R,2S,3R,4S)-4-amino-2,3-dihydroxycyclopentyl]-N-(2-aminoethyl)-6-(2,2-diphenylethylamino)purine-2-carboxamide;hydrochloride
CID 66630567
N-(2-aminoethyl)-6-(2,2-diphenylethylamino)-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purine-2-carboxamide
CID 11192424
6-(2,2-diphenylethylamino)-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]-N-[3-(propan-2-ylamino)propyl]purine-2-carboxamide
CID 10211404
(1R,2S,3R,5S)-3-[6-(2,2-diphenylethylamino)-2-(2-piperidin-1-ylethylamino)purin-9-yl]-5-[4-(hydroxymethyl)pyrazol-1-yl]cyclopentane-1,2-diol;2,2,2-trifluoroacetic acid
CID 66735860

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-diphenylethylamino)-9-[5-(hydroxymethyl)oxolan-2-yl]-N-(2-piperidin-1-ylethyl)purine-2-carboxamide?
The IUPAC name of 6-(2,2-diphenylethylamino)-9-[5-(hydroxymethyl)oxolan-2-yl]-N-(2-piperidin-1-ylethyl)purine-2-carboxamide (CID 142032604) is 6-(2,2-diphenylethylamino)-9-[5-(hydroxymethyl)oxolan-2-yl]-N-(2-piperidin-1-ylethyl)purine-2-carboxamide.
What is the SMILES notation for 6-(2,2-diphenylethylamino)-9-[5-(hydroxymethyl)oxolan-2-yl]-N-(2-piperidin-1-ylethyl)purine-2-carboxamide?
The canonical SMILES for 6-(2,2-diphenylethylamino)-9-[5-(hydroxymethyl)oxolan-2-yl]-N-(2-piperidin-1-ylethyl)purine-2-carboxamide is O=C(NCCN1CCCCC1)c1nc(NCC(c2ccccc2)c2ccccc2)c2ncn(C3CCC(CO)O3)c2n1.
What is the InChIKey of 6-(2,2-diphenylethylamino)-9-[5-(hydroxymethyl)oxolan-2-yl]-N-(2-piperidin-1-ylethyl)purine-2-carboxamide?
The InChIKey is OSEIWGFEZXXIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N7O3/c40-21-25-14-15-27(42-25)39-22-35-28-29(34-20-26(23-10-4-1-5-11-23)24-12-6-2-7-13-24)36-30(37-31(28)39)32(41)33-16-19-38-17-8-3-9-18-38/h1-2,4-7,10-13,22,25-27,40H,3,8-9,14-21H2,(H,33,41)(H,34,36,37).
What are the key properties of 6-(2,2-diphenylethylamino)-9-[5-(hydroxymethyl)oxolan-2-yl]-N-(2-piperidin-1-ylethyl)purine-2-carboxamide?
6-(2,2-diphenylethylamino)-9-[5-(hydroxymethyl)oxolan-2-yl]-N-(2-piperidin-1-ylethyl)purine-2-carboxamide has a molecular weight of 569.71 g/mol, XLogP of 3.96, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-diphenylethylamino)-9-[5-(hydroxymethyl)oxolan-2-yl]-N-(2-piperidin-1-ylethyl)purine-2-carboxamide is sourced from PubChem (CID 142032604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).