[(2S,4R,5R)-5-(2,6-diaminopurin-9-yl)-4-fluorooxolan-2-yl]methanol

C10H13FN6O2 — CID 57008167

IUPAC[(2S,4R,5R)-5-(2,6-diaminopurin-9-yl)-4-fluorooxolan-2-yl]methanol
SMILESNc1nc(N)c2ncn([C@@H]3O[C@H](CO)C[C@H]3F)c2n1
InChIInChI=1S/C10H13FN6O2/c11-5-1-4(2-18)19-9(5)17-3-14-6-7(12)15-10(13)16-8(6)17/h3-5,9,18H,1-2H2,(H4,12,13,15,16)/t4-,5+,9+/m0/s1
InChIKeyPHDRWZXWRBXBOC-OBXARNEKSA-N
MW268.25 g/mol
LogP-0.39
Rot. Bonds2

About [(2S,4R,5R)-5-(2,6-diaminopurin-9-yl)-4-fluorooxolan-2-yl]methanol

[(2S,4R,5R)-5-(2,6-diaminopurin-9-yl)-4-fluorooxolan-2-yl]methanol (PubChem CID 57008167) has the molecular formula C10H13FN6O2 and a molecular weight of 268.25 g/mol. Its IUPAC name is [(2S,4R,5R)-5-(2,6-diaminopurin-9-yl)-4-fluorooxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4R,5R)-5-(2,6-diaminopurin-9-yl)-4-fluorooxolan-2-yl]methanol
PubChem CID57008167
Molecular FormulaC10H13FN6O2
Molecular Weight268.25 g/mol
Exact Mass268.11
IUPAC Name[(2S,4R,5R)-5-(2,6-diaminopurin-9-yl)-4-fluorooxolan-2-yl]methanol
SMILESNc1nc(N)c2ncn([C@@H]3O[C@H](CO)C[C@H]3F)c2n1
InChIInChI=1S/C10H13FN6O2/c11-5-1-4(2-18)19-9(5)17-3-14-6-7(12)15-10(13)16-8(6)17/h3-5,9,18H,1-2H2,(H4,12,13,15,16)/t4-,5+,9+/m0/s1
InChIKeyPHDRWZXWRBXBOC-OBXARNEKSA-N
XLogP-0.39
TPSA125.10 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.25
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-(2,6-diaminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
CID 13160027
[(2S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-fluorooxolan-2-yl]methanol
CID 57116771
2-amino-9-[(2S,3S,5R)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 135499692
[(2S,4S,5R)-5-(2,4-diaminopyrrolo[2,3-d]pyrimidin-7-yl)-4-fluorooxolan-2-yl]methanol
CID 5271786
(3R)-2-(6-amino-2-methylpurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
CID 143600600
(2R,3R,4R,5R)-5-(2,6-diaminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;hydrate
CID 163209763
2-chloro-9-[(3S,5S)-3-fluoro-5-(methoxymethyl)oxolan-2-yl]purin-6-amine
CID 144762805
6-chloro-9-[(2R,3S,5S)-3-fluoro-5-(methoxymethyl)oxolan-2-yl]purin-2-amine
CID 157481139
[(2S,4S,5R)-4-fluoro-5-[6-(trifluoromethyl)purin-9-yl]oxolan-2-yl]methanol
CID 54381123
[(2S,5R)-5-(2,6-diaminopurin-9-yl)-4-fluoro-4-methyloxolan-2-yl]methanol
CID 66696300
[(2S,4S,5R)-5-(6-aminopurin-9-yl)-3-deuterio-4-fluorooxolan-2-yl]methanol
CID 10858004
[(2S,4S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol;ethane
CID 145444491

Frequently Asked Questions

What is the IUPAC name of [(2S,4R,5R)-5-(2,6-diaminopurin-9-yl)-4-fluorooxolan-2-yl]methanol?
The IUPAC name of [(2S,4R,5R)-5-(2,6-diaminopurin-9-yl)-4-fluorooxolan-2-yl]methanol (CID 57008167) is [(2S,4R,5R)-5-(2,6-diaminopurin-9-yl)-4-fluorooxolan-2-yl]methanol.
What is the SMILES notation for [(2S,4R,5R)-5-(2,6-diaminopurin-9-yl)-4-fluorooxolan-2-yl]methanol?
The canonical SMILES for [(2S,4R,5R)-5-(2,6-diaminopurin-9-yl)-4-fluorooxolan-2-yl]methanol is Nc1nc(N)c2ncn([C@@H]3O[C@H](CO)C[C@H]3F)c2n1.
What is the InChIKey of [(2S,4R,5R)-5-(2,6-diaminopurin-9-yl)-4-fluorooxolan-2-yl]methanol?
The InChIKey is PHDRWZXWRBXBOC-OBXARNEKSA-N. The full InChI is InChI=1S/C10H13FN6O2/c11-5-1-4(2-18)19-9(5)17-3-14-6-7(12)15-10(13)16-8(6)17/h3-5,9,18H,1-2H2,(H4,12,13,15,16)/t4-,5+,9+/m0/s1.
What are the key properties of [(2S,4R,5R)-5-(2,6-diaminopurin-9-yl)-4-fluorooxolan-2-yl]methanol?
[(2S,4R,5R)-5-(2,6-diaminopurin-9-yl)-4-fluorooxolan-2-yl]methanol has a molecular weight of 268.25 g/mol, XLogP of -0.39, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R,5R)-5-(2,6-diaminopurin-9-yl)-4-fluorooxolan-2-yl]methanol is sourced from PubChem (CID 57008167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).