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

C12H14FN5O2 — CID 145281051

IUPACacetylene;[5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methanol
SMILESC#C.Nc1nc(F)nc2c1ncn2C1CCC(CO)O1
InChIInChI=1S/C10H12FN5O2.C2H2/c11-10-14-8(12)7-9(15-10)16(4-13-7)6-2-1-5(3-17)18-6;1-2/h4-6,17H,1-3H2,(H2,12,14,15);1-2H
InChIKeyBXYBMJCBIXLQMK-UHFFFAOYSA-N
MW279.27 g/mol
LogP0.47
Rot. Bonds2

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

acetylene;[5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methanol (PubChem CID 145281051) has the molecular formula C12H14FN5O2 and a molecular weight of 279.27 g/mol. Its IUPAC name is acetylene;[5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methanol.

Molecular Properties

Compound Nameacetylene;[5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methanol
PubChem CID145281051
Molecular FormulaC12H14FN5O2
Molecular Weight279.27 g/mol
Exact Mass279.11
IUPAC Nameacetylene;[5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methanol
SMILESC#C.Nc1nc(F)nc2c1ncn2C1CCC(CO)O1
InChIInChI=1S/C10H12FN5O2.C2H2/c11-10-14-8(12)7-9(15-10)16(4-13-7)6-2-1-5(3-17)18-6;1-2/h4-6,17H,1-3H2,(H2,12,14,15);1-2H
InChIKeyBXYBMJCBIXLQMK-UHFFFAOYSA-N
XLogP0.47
TPSA99.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

[(2S)-5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methanol
CID 153392880
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
[(2S)-5-(6-amino-2-methylpurin-9-yl)oxolan-2-yl]methanol
CID 143654262
acetylene;[5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate;ethane
CID 169190106
acetylene;[5-(6-aminopurin-9-yl)oxolan-2-yl]methanol;methanol
CID 165130368
[(5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methanol
CID 135258304
[(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
acetylene;[5-(6-amino-2-fluoropurin-9-yl)-2,5-dihydrofuran-2-yl]methanol
CID 163227449
[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

Frequently Asked Questions

What is the IUPAC name of acetylene;[5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methanol?
The IUPAC name of acetylene;[5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methanol (CID 145281051) is acetylene;[5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methanol.
What is the SMILES notation for acetylene;[5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methanol?
The canonical SMILES for acetylene;[5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methanol is C#C.Nc1nc(F)nc2c1ncn2C1CCC(CO)O1.
What is the InChIKey of acetylene;[5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methanol?
The InChIKey is BXYBMJCBIXLQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN5O2.C2H2/c11-10-14-8(12)7-9(15-10)16(4-13-7)6-2-1-5(3-17)18-6;1-2/h4-6,17H,1-3H2,(H2,12,14,15);1-2H.
What are the key properties of acetylene;[5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methanol?
acetylene;[5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methanol has a molecular weight of 279.27 g/mol, XLogP of 0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;[5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methanol is sourced from PubChem (CID 145281051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).