[(2R,3S,5R)-5-[2-amino-6-(benzylamino)purin-9-yl]-3-fluorooxolan-2-yl]methanol

C17H19FN6O2 — CID 67703950

IUPAC[(2R,3S,5R)-5-[2-amino-6-(benzylamino)purin-9-yl]-3-fluorooxolan-2-yl]methanol
SMILESNc1nc(NCc2ccccc2)c2ncn([C@H]3C[C@H](F)[C@@H](CO)O3)c2n1
InChIInChI=1S/C17H19FN6O2/c18-11-6-13(26-12(11)8-25)24-9-21-14-15(22-17(19)23-16(14)24)20-7-10-4-2-1-3-5-10/h1-5,9,11-13,25H,6-8H2,(H3,19,20,22,23)/t11-,12+,13+/m0/s1
InChIKeyCPUPTMSGKQERQV-YNEHKIRRSA-N
MW358.38 g/mol
LogP1.64
Rot. Bonds5

About [(2R,3S,5R)-5-[2-amino-6-(benzylamino)purin-9-yl]-3-fluorooxolan-2-yl]methanol

[(2R,3S,5R)-5-[2-amino-6-(benzylamino)purin-9-yl]-3-fluorooxolan-2-yl]methanol (PubChem CID 67703950) has the molecular formula C17H19FN6O2 and a molecular weight of 358.38 g/mol. Its IUPAC name is [(2R,3S,5R)-5-[2-amino-6-(benzylamino)purin-9-yl]-3-fluorooxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3S,5R)-5-[2-amino-6-(benzylamino)purin-9-yl]-3-fluorooxolan-2-yl]methanol
PubChem CID67703950
Molecular FormulaC17H19FN6O2
Molecular Weight358.38 g/mol
Exact Mass358.16
IUPAC Name[(2R,3S,5R)-5-[2-amino-6-(benzylamino)purin-9-yl]-3-fluorooxolan-2-yl]methanol
SMILESNc1nc(NCc2ccccc2)c2ncn([C@H]3C[C@H](F)[C@@H](CO)O3)c2n1
InChIInChI=1S/C17H19FN6O2/c18-11-6-13(26-12(11)8-25)24-9-21-14-15(22-17(19)23-16(14)24)20-7-10-4-2-1-3-5-10/h1-5,9,11-13,25H,6-8H2,(H3,19,20,22,23)/t11-,12+,13+/m0/s1
InChIKeyCPUPTMSGKQERQV-YNEHKIRRSA-N
XLogP1.64
TPSA111.11 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

[(2R,3S,5R)-5-[2-amino-6-(propylamino)purin-9-yl]-3-fluorooxolan-2-yl]methanol
CID 67703963
(2R,3R,4R,5R)-2-[2-amino-6-(benzylamino)purin-9-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 46852790
[(2R,5R)-5-(6-amino-2-fluoropurin-9-yl)-3-fluorooxolan-2-yl]methanol
CID 57318996
(2R,3R,4S,5R)-5-[6-(benzylamino)-2-methylpurin-9-yl]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 175233007
[5-[2-amino-6-(propylamino)purin-9-yl]-3-azidooxolan-2-yl]methanol
CID 19875305
(2S,3R)-5-(2-amino-6-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 154723265
[(5R)-5-[6-(benzylamino)purin-9-yl]oxolan-2-yl]methanol
CID 142470459
[(2S,3S)-5-[6-(benzylamino)purin-9-yl]-3-hydroxyoxolan-2-yl]methyl sulfamate
CID 121440976
(3R,5S,7R)-7-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)oxepane-3,4,5-triol
CID 58940460
(2S,3S,5R)-5-[6-(benzylamino)-2-propan-2-ylpurin-9-yl]-3-hydroxy-N-methyloxolane-2-carboxamide
CID 167153359
(2R,3S,5R)-2-[6-(benzylamino)-2-methoxypurin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 59801631
N-benzyl-9-(oxiran-2-yl)purin-6-amine
CID 174692063

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,5R)-5-[2-amino-6-(benzylamino)purin-9-yl]-3-fluorooxolan-2-yl]methanol?
The IUPAC name of [(2R,3S,5R)-5-[2-amino-6-(benzylamino)purin-9-yl]-3-fluorooxolan-2-yl]methanol (CID 67703950) is [(2R,3S,5R)-5-[2-amino-6-(benzylamino)purin-9-yl]-3-fluorooxolan-2-yl]methanol.
What is the SMILES notation for [(2R,3S,5R)-5-[2-amino-6-(benzylamino)purin-9-yl]-3-fluorooxolan-2-yl]methanol?
The canonical SMILES for [(2R,3S,5R)-5-[2-amino-6-(benzylamino)purin-9-yl]-3-fluorooxolan-2-yl]methanol is Nc1nc(NCc2ccccc2)c2ncn([C@H]3C[C@H](F)[C@@H](CO)O3)c2n1.
What is the InChIKey of [(2R,3S,5R)-5-[2-amino-6-(benzylamino)purin-9-yl]-3-fluorooxolan-2-yl]methanol?
The InChIKey is CPUPTMSGKQERQV-YNEHKIRRSA-N. The full InChI is InChI=1S/C17H19FN6O2/c18-11-6-13(26-12(11)8-25)24-9-21-14-15(22-17(19)23-16(14)24)20-7-10-4-2-1-3-5-10/h1-5,9,11-13,25H,6-8H2,(H3,19,20,22,23)/t11-,12+,13+/m0/s1.
What are the key properties of [(2R,3S,5R)-5-[2-amino-6-(benzylamino)purin-9-yl]-3-fluorooxolan-2-yl]methanol?
[(2R,3S,5R)-5-[2-amino-6-(benzylamino)purin-9-yl]-3-fluorooxolan-2-yl]methanol has a molecular weight of 358.38 g/mol, XLogP of 1.64, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,5R)-5-[2-amino-6-(benzylamino)purin-9-yl]-3-fluorooxolan-2-yl]methanol is sourced from PubChem (CID 67703950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).