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

C13H19FN6O2 — CID 67703963

IUPAC[(2R,3S,5R)-5-[2-amino-6-(propylamino)purin-9-yl]-3-fluorooxolan-2-yl]methanol
SMILESCCCNc1nc(N)nc2c1ncn2[C@H]1C[C@H](F)[C@@H](CO)O1
InChIInChI=1S/C13H19FN6O2/c1-2-3-16-11-10-12(19-13(15)18-11)20(6-17-10)9-4-7(14)8(5-21)22-9/h6-9,21H,2-5H2,1H3,(H3,15,16,18,19)/t7-,8+,9+/m0/s1
InChIKeyUBGGJKCRCYPUMT-DJLDLDEBSA-N
MW310.33 g/mol
LogP0.85
Rot. Bonds5

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

[(2R,3S,5R)-5-[2-amino-6-(propylamino)purin-9-yl]-3-fluorooxolan-2-yl]methanol (PubChem CID 67703963) has the molecular formula C13H19FN6O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is [(2R,3S,5R)-5-[2-amino-6-(propylamino)purin-9-yl]-3-fluorooxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3S,5R)-5-[2-amino-6-(propylamino)purin-9-yl]-3-fluorooxolan-2-yl]methanol
PubChem CID67703963
Molecular FormulaC13H19FN6O2
Molecular Weight310.33 g/mol
Exact Mass310.16
IUPAC Name[(2R,3S,5R)-5-[2-amino-6-(propylamino)purin-9-yl]-3-fluorooxolan-2-yl]methanol
SMILESCCCNc1nc(N)nc2c1ncn2[C@H]1C[C@H](F)[C@@H](CO)O1
InChIInChI=1S/C13H19FN6O2/c1-2-3-16-11-10-12(19-13(15)18-11)20(6-17-10)9-4-7(14)8(5-21)22-9/h6-9,21H,2-5H2,1H3,(H3,15,16,18,19)/t7-,8+,9+/m0/s1
InChIKeyUBGGJKCRCYPUMT-DJLDLDEBSA-N
XLogP0.85
TPSA111.11 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

[5-[2-amino-6-(propylamino)purin-9-yl]-3-azidooxolan-2-yl]methanol
CID 19875305
[(2R,3S,5R)-5-[2-amino-6-(benzylamino)purin-9-yl]-3-fluorooxolan-2-yl]methanol
CID 67703950
(3R,4S,5R)-2-[2-amino-6-(propylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 46876589
[(2R,5R)-5-(6-amino-2-fluoropurin-9-yl)-3-fluorooxolan-2-yl]methanol
CID 57318996
(2R,3S,5R)-5-[6-(butylamino)-2-chloropurin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 10042975
(3S,4R,5S)-2-[2-amino-6-[4-[[2-amino-9-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]butylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 46876447
(2S,3R)-5-(2-amino-6-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 154723265
(2S,3S,4R,5S)-2-[2-amino-6-[5-[[2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]pentylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 10722696
(2S,3R)-5-(2-amino-6-methoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 154710689
(3R,5S,7R)-7-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)oxepane-3,4,5-triol
CID 58940460
(4S,5R)-5-[2-chloro-6-(propylamino)purin-9-yl]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 166028169
[5-[2-amino-6-(dimethylamino)purin-9-yl]-3-azidooxolan-2-yl]methanol
CID 19875293

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,5R)-5-[2-amino-6-(propylamino)purin-9-yl]-3-fluorooxolan-2-yl]methanol?
The IUPAC name of [(2R,3S,5R)-5-[2-amino-6-(propylamino)purin-9-yl]-3-fluorooxolan-2-yl]methanol (CID 67703963) is [(2R,3S,5R)-5-[2-amino-6-(propylamino)purin-9-yl]-3-fluorooxolan-2-yl]methanol.
What is the SMILES notation for [(2R,3S,5R)-5-[2-amino-6-(propylamino)purin-9-yl]-3-fluorooxolan-2-yl]methanol?
The canonical SMILES for [(2R,3S,5R)-5-[2-amino-6-(propylamino)purin-9-yl]-3-fluorooxolan-2-yl]methanol is CCCNc1nc(N)nc2c1ncn2[C@H]1C[C@H](F)[C@@H](CO)O1.
What is the InChIKey of [(2R,3S,5R)-5-[2-amino-6-(propylamino)purin-9-yl]-3-fluorooxolan-2-yl]methanol?
The InChIKey is UBGGJKCRCYPUMT-DJLDLDEBSA-N. The full InChI is InChI=1S/C13H19FN6O2/c1-2-3-16-11-10-12(19-13(15)18-11)20(6-17-10)9-4-7(14)8(5-21)22-9/h6-9,21H,2-5H2,1H3,(H3,15,16,18,19)/t7-,8+,9+/m0/s1.
What are the key properties of [(2R,3S,5R)-5-[2-amino-6-(propylamino)purin-9-yl]-3-fluorooxolan-2-yl]methanol?
[(2R,3S,5R)-5-[2-amino-6-(propylamino)purin-9-yl]-3-fluorooxolan-2-yl]methanol has a molecular weight of 310.33 g/mol, XLogP of 0.85, 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-(propylamino)purin-9-yl]-3-fluorooxolan-2-yl]methanol is sourced from PubChem (CID 67703963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).