[(2S)-5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methanol

C10H12FN5O2 — CID 153392880

IUPAC[(2S)-5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methanol
SMILESNc1nc(F)nc2c1ncn2C1CC[C@@H](CO)O1
InChIInChI=1S/C10H12FN5O2/c11-10-14-8(12)7-9(15-10)16(4-13-7)6-2-1-5(3-17)18-6/h4-6,17H,1-3H2,(H2,12,14,15)/t5-,6?/m0/s1
InChIKeyOGSWGOOQBBYAIG-ZBHICJROSA-N
MW253.24 g/mol
LogP0.22
Rot. Bonds2

About [(2S)-5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methanol

[(2S)-5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methanol (PubChem CID 153392880) has the molecular formula C10H12FN5O2 and a molecular weight of 253.24 g/mol. Its IUPAC name is [(2S)-5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methanol
PubChem CID153392880
Molecular FormulaC10H12FN5O2
Molecular Weight253.24 g/mol
Exact Mass253.10
IUPAC Name[(2S)-5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methanol
SMILESNc1nc(F)nc2c1ncn2C1CC[C@@H](CO)O1
InChIInChI=1S/C10H12FN5O2/c11-10-14-8(12)7-9(15-10)16(4-13-7)6-2-1-5(3-17)18-6/h4-6,17H,1-3H2,(H2,12,14,15)/t5-,6?/m0/s1
InChIKeyOGSWGOOQBBYAIG-ZBHICJROSA-N
XLogP0.22
TPSA99.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.24
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

acetylene;[5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methanol
CID 145281051
[(2S)-5-(6-amino-2-methylpurin-9-yl)oxolan-2-yl]methanol
CID 143654262
acetylene;[5-(6-amino-2-chloropurin-9-yl)oxolan-2-yl]methanol
CID 163227421
acetylene;[(2S)-5-(6-amino-2-ethylpurin-9-yl)oxolan-2-yl]methanol
CID 169190113
[(5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methanol
CID 135258304
acetylene;[5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate;ethane
CID 169190106
[(2S,5R)-5-(6-hydrazinylpurin-9-yl)oxolan-2-yl]methanol
CID 135258315
[(2R,5R)-5-(6-amino-2-fluoropurin-9-yl)-3-fluorooxolan-2-yl]methanol
CID 57318996
[5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol
CID 144929572
[5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methyl tetradecanoate
CID 166754337
acetylene;[5-(6-aminopurin-9-yl)oxolan-2-yl]methanol;methanol
CID 165130368
[(2S,5S)-5-(4,6-diaminoimidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methanol
CID 54315484

Frequently Asked Questions

What is the IUPAC name of [(2S)-5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methanol?
The IUPAC name of [(2S)-5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methanol (CID 153392880) is [(2S)-5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methanol.
What is the SMILES notation for [(2S)-5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methanol?
The canonical SMILES for [(2S)-5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methanol is Nc1nc(F)nc2c1ncn2C1CC[C@@H](CO)O1.
What is the InChIKey of [(2S)-5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methanol?
The InChIKey is OGSWGOOQBBYAIG-ZBHICJROSA-N. The full InChI is InChI=1S/C10H12FN5O2/c11-10-14-8(12)7-9(15-10)16(4-13-7)6-2-1-5(3-17)18-6/h4-6,17H,1-3H2,(H2,12,14,15)/t5-,6?/m0/s1.
What are the key properties of [(2S)-5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methanol?
[(2S)-5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methanol has a molecular weight of 253.24 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methanol is sourced from PubChem (CID 153392880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).