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

C17H19N5O2 — CID 142470459

IUPAC[(5R)-5-[6-(benzylamino)purin-9-yl]oxolan-2-yl]methanol
SMILESOCC1CC[C@H](n2cnc3c(NCc4ccccc4)ncnc32)O1
InChIInChI=1S/C17H19N5O2/c23-9-13-6-7-14(24-13)22-11-21-15-16(19-10-20-17(15)22)18-8-12-4-2-1-3-5-12/h1-5,10-11,13-14,23H,6-9H2,(H,18,19,20)/t13?,14-/m1/s1
InChIKeyFTFUACKLTUPQQG-ARLHGKGLSA-N
MW325.37 g/mol
LogP2.11
Rot. Bonds5

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

[(5R)-5-[6-(benzylamino)purin-9-yl]oxolan-2-yl]methanol (PubChem CID 142470459) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is [(5R)-5-[6-(benzylamino)purin-9-yl]oxolan-2-yl]methanol.

Molecular Properties

Compound Name[(5R)-5-[6-(benzylamino)purin-9-yl]oxolan-2-yl]methanol
PubChem CID142470459
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name[(5R)-5-[6-(benzylamino)purin-9-yl]oxolan-2-yl]methanol
SMILESOCC1CC[C@H](n2cnc3c(NCc4ccccc4)ncnc32)O1
InChIInChI=1S/C17H19N5O2/c23-9-13-6-7-14(24-13)22-11-21-15-16(19-10-20-17(15)22)18-8-12-4-2-1-3-5-12/h1-5,10-11,13-14,23H,6-9H2,(H,18,19,20)/t13?,14-/m1/s1
InChIKeyFTFUACKLTUPQQG-ARLHGKGLSA-N
XLogP2.11
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[5-[6-[(2-methyl-2-phenylpropyl)amino]purin-9-yl]oxolan-2-yl]methanol
CID 123399954
N-benzyl-9-(oxiran-2-yl)purin-6-amine
CID 174692063
[(2S,5R)-5-(6-hydrazinylpurin-9-yl)oxolan-2-yl]methanol
CID 135258315
[5-[6-(prop-2-ynylamino)purin-9-yl]oxolan-2-yl]methanol
CID 142808553
[(2R,5R)-5-[6-(cyclohexylamino)purin-9-yl]oxolan-2-yl]methanol
CID 54592375
[(2S,5S)-5-(6-fluoropurin-9-yl)oxolan-2-yl]methanol
CID 67868000
[(5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methanol
CID 135258304
(2R,3S,4R,5R)-2-[6-(benzylamino)purin-9-yl]-3-chloro-5-(hydroxymethyl)oxolane-3,4-diol
CID 175676484
[(2S,6R)-4-benzyl-6-[6-[2-(dimethylamino)ethylamino]purin-9-yl]morpholin-2-yl]methanol
CID 46942807
3-[6-(benzylamino)purin-9-yl]-1-methylcyclobutan-1-ol
CID 155962940
[(2S,3S)-5-[6-(benzylamino)purin-9-yl]-3-hydroxyoxolan-2-yl]methyl sulfamate
CID 121440976
[(2S,5R)-5-(6-nitrosopurin-9-yl)oxolan-2-yl]methanol
CID 57107632

Frequently Asked Questions

What is the IUPAC name of [(5R)-5-[6-(benzylamino)purin-9-yl]oxolan-2-yl]methanol?
The IUPAC name of [(5R)-5-[6-(benzylamino)purin-9-yl]oxolan-2-yl]methanol (CID 142470459) is [(5R)-5-[6-(benzylamino)purin-9-yl]oxolan-2-yl]methanol.
What is the SMILES notation for [(5R)-5-[6-(benzylamino)purin-9-yl]oxolan-2-yl]methanol?
The canonical SMILES for [(5R)-5-[6-(benzylamino)purin-9-yl]oxolan-2-yl]methanol is OCC1CC[C@H](n2cnc3c(NCc4ccccc4)ncnc32)O1.
What is the InChIKey of [(5R)-5-[6-(benzylamino)purin-9-yl]oxolan-2-yl]methanol?
The InChIKey is FTFUACKLTUPQQG-ARLHGKGLSA-N. The full InChI is InChI=1S/C17H19N5O2/c23-9-13-6-7-14(24-13)22-11-21-15-16(19-10-20-17(15)22)18-8-12-4-2-1-3-5-12/h1-5,10-11,13-14,23H,6-9H2,(H,18,19,20)/t13?,14-/m1/s1.
What are the key properties of [(5R)-5-[6-(benzylamino)purin-9-yl]oxolan-2-yl]methanol?
[(5R)-5-[6-(benzylamino)purin-9-yl]oxolan-2-yl]methanol has a molecular weight of 325.37 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-5-[6-(benzylamino)purin-9-yl]oxolan-2-yl]methanol is sourced from PubChem (CID 142470459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).