[(1R,3S)-3-[(6-phenylpurin-9-yl)methyl]-2,3-dihydro-1H-inden-1-yl]methanol

C22H20N4O — CID 102378672

IUPAC[(1R,3S)-3-[(6-phenylpurin-9-yl)methyl]-2,3-dihydro-1H-inden-1-yl]methanol
SMILESOC[C@@H]1C[C@H](Cn2cnc3c(-c4ccccc4)ncnc32)c2ccccc21
InChIInChI=1S/C22H20N4O/c27-12-17-10-16(18-8-4-5-9-19(17)18)11-26-14-25-21-20(23-13-24-22(21)26)15-6-2-1-3-7-15/h1-9,13-14,16-17,27H,10-12H2/t16-,17+/m1/s1
InChIKeyZDZSPAHZWYOZNN-SJORKVTESA-N
MW356.43 g/mol
LogP3.76
Rot. Bonds4

About [(1R,3S)-3-[(6-phenylpurin-9-yl)methyl]-2,3-dihydro-1H-inden-1-yl]methanol

[(1R,3S)-3-[(6-phenylpurin-9-yl)methyl]-2,3-dihydro-1H-inden-1-yl]methanol (PubChem CID 102378672) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is [(1R,3S)-3-[(6-phenylpurin-9-yl)methyl]-2,3-dihydro-1H-inden-1-yl]methanol.

Molecular Properties

Compound Name[(1R,3S)-3-[(6-phenylpurin-9-yl)methyl]-2,3-dihydro-1H-inden-1-yl]methanol
PubChem CID102378672
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name[(1R,3S)-3-[(6-phenylpurin-9-yl)methyl]-2,3-dihydro-1H-inden-1-yl]methanol
SMILESOC[C@@H]1C[C@H](Cn2cnc3c(-c4ccccc4)ncnc32)c2ccccc21
InChIInChI=1S/C22H20N4O/c27-12-17-10-16(18-8-4-5-9-19(17)18)11-26-14-25-21-20(23-13-24-22(21)26)15-6-2-1-3-7-15/h1-9,13-14,16-17,27H,10-12H2/t16-,17+/m1/s1
InChIKeyZDZSPAHZWYOZNN-SJORKVTESA-N
XLogP3.76
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(1R,3S)-3-[(6-phenylpurin-9-yl)methyl]-2,3-dihydro-1H-inden-1-yl]methanol with MolForge

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Related Compounds

(1S,3R)-3-[[6-(4-methylphenyl)purin-9-yl]methyl]-2,3-dihydro-1H-inden-1-ol
CID 11152486
tert-butyl-[[(5S,7R)-7-[(6-chloropurin-9-yl)methyl]-1,4-diphenyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-5-yl]methoxy]-dimethylsilane
CID 11284678
1-(2,4-dichlorophenyl)-2-(6-phenylpurin-9-yl)ethanone
CID 162663200
1-[4-(9-benzylpurin-6-yl)phenyl]ethanone
CID 15499185
N-benzyl-6-phenylpurin-9-amine
CID 174682159
2-(9-benzylpurin-6-yl)-3-phenylbenzamide
CID 122531264
9-benzyl-6-(2,3,4,5-tetraethyl-6-phenylphenyl)purine
CID 11248509
[(1S,3R)-3-[[6-(dimethylamino)purin-9-yl]methyl]cyclopentyl]methanol
CID 57270357
(1S,4S,5S,7R)-5-chloro-7-[[6-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]purin-9-yl]methyl]bicyclo[2.2.1]heptan-2-ol
CID 161095720
9-[(1R,3S)-3-(hydroxymethyl)-2,3-dihydro-1H-inden-1-yl]-1H-purin-6-one
CID 135949044
trans-(1S,2S)-2-(9-benzylpurin-6-yl)cyclopropane-1-carboxylic acid
CID 24895799
[(1S,2R)-2-[(6-chloropurin-9-yl)methyl]cyclopentyl]methanol
CID 15450648

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-[(6-phenylpurin-9-yl)methyl]-2,3-dihydro-1H-inden-1-yl]methanol?
The IUPAC name of [(1R,3S)-3-[(6-phenylpurin-9-yl)methyl]-2,3-dihydro-1H-inden-1-yl]methanol (CID 102378672) is [(1R,3S)-3-[(6-phenylpurin-9-yl)methyl]-2,3-dihydro-1H-inden-1-yl]methanol.
What is the SMILES notation for [(1R,3S)-3-[(6-phenylpurin-9-yl)methyl]-2,3-dihydro-1H-inden-1-yl]methanol?
The canonical SMILES for [(1R,3S)-3-[(6-phenylpurin-9-yl)methyl]-2,3-dihydro-1H-inden-1-yl]methanol is OC[C@@H]1C[C@H](Cn2cnc3c(-c4ccccc4)ncnc32)c2ccccc21.
What is the InChIKey of [(1R,3S)-3-[(6-phenylpurin-9-yl)methyl]-2,3-dihydro-1H-inden-1-yl]methanol?
The InChIKey is ZDZSPAHZWYOZNN-SJORKVTESA-N. The full InChI is InChI=1S/C22H20N4O/c27-12-17-10-16(18-8-4-5-9-19(17)18)11-26-14-25-21-20(23-13-24-22(21)26)15-6-2-1-3-7-15/h1-9,13-14,16-17,27H,10-12H2/t16-,17+/m1/s1.
What are the key properties of [(1R,3S)-3-[(6-phenylpurin-9-yl)methyl]-2,3-dihydro-1H-inden-1-yl]methanol?
[(1R,3S)-3-[(6-phenylpurin-9-yl)methyl]-2,3-dihydro-1H-inden-1-yl]methanol has a molecular weight of 356.43 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-[(6-phenylpurin-9-yl)methyl]-2,3-dihydro-1H-inden-1-yl]methanol is sourced from PubChem (CID 102378672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).