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

C14H19N5O2 — CID 169190113

IUPACacetylene;[(2S)-5-(6-amino-2-ethylpurin-9-yl)oxolan-2-yl]methanol
SMILESC#C.CCc1nc(N)c2ncn(C3CC[C@@H](CO)O3)c2n1
InChIInChI=1S/C12H17N5O2.C2H2/c1-2-8-15-11(13)10-12(16-8)17(6-14-10)9-4-3-7(5-18)19-9;1-2/h6-7,9,18H,2-5H2,1H3,(H2,13,15,16);1-2H/t7-,9?;/m0./s1
InChIKeyOLHUTRPZDRBASC-MCNHTDSKSA-N
MW289.34 g/mol
LogP0.89
Rot. Bonds3

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

acetylene;[(2S)-5-(6-amino-2-ethylpurin-9-yl)oxolan-2-yl]methanol (PubChem CID 169190113) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is acetylene;[(2S)-5-(6-amino-2-ethylpurin-9-yl)oxolan-2-yl]methanol.

Molecular Properties

Compound Nameacetylene;[(2S)-5-(6-amino-2-ethylpurin-9-yl)oxolan-2-yl]methanol
PubChem CID169190113
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Nameacetylene;[(2S)-5-(6-amino-2-ethylpurin-9-yl)oxolan-2-yl]methanol
SMILESC#C.CCc1nc(N)c2ncn(C3CC[C@@H](CO)O3)c2n1
InChIInChI=1S/C12H17N5O2.C2H2/c1-2-8-15-11(13)10-12(16-8)17(6-14-10)9-4-3-7(5-18)19-9;1-2/h6-7,9,18H,2-5H2,1H3,(H2,13,15,16);1-2H/t7-,9?;/m0./s1
InChIKeyOLHUTRPZDRBASC-MCNHTDSKSA-N
XLogP0.89
TPSA99.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.89
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

acetylene;[5-(6-amino-2-chloropurin-9-yl)oxolan-2-yl]methanol
CID 163227421
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
[(2S)-5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methanol
CID 153392880
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,5S)-5-(4,6-diaminoimidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methanol
CID 54315484
[(2S,5R)-5-(6-hydrazinylpurin-9-yl)oxolan-2-yl]methanol
CID 135258315
1,2-diamino-9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]purin-6-one
CID 130402904
[(2S,5R)-5-[2-amino-6-(cyclohexylamino)purin-9-yl]oxolan-2-yl]methanol
CID 56967848
(2R,3R,4R,5R)-5-(6-amino-2-ethylpurin-9-yl)-2-(hydroxymethyl)-4-sulfanyloxolan-3-ol
CID 87390993
acetylene;[5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate;ethane
CID 169190106

Frequently Asked Questions

What is the IUPAC name of acetylene;[(2S)-5-(6-amino-2-ethylpurin-9-yl)oxolan-2-yl]methanol?
The IUPAC name of acetylene;[(2S)-5-(6-amino-2-ethylpurin-9-yl)oxolan-2-yl]methanol (CID 169190113) is acetylene;[(2S)-5-(6-amino-2-ethylpurin-9-yl)oxolan-2-yl]methanol.
What is the SMILES notation for acetylene;[(2S)-5-(6-amino-2-ethylpurin-9-yl)oxolan-2-yl]methanol?
The canonical SMILES for acetylene;[(2S)-5-(6-amino-2-ethylpurin-9-yl)oxolan-2-yl]methanol is C#C.CCc1nc(N)c2ncn(C3CC[C@@H](CO)O3)c2n1.
What is the InChIKey of acetylene;[(2S)-5-(6-amino-2-ethylpurin-9-yl)oxolan-2-yl]methanol?
The InChIKey is OLHUTRPZDRBASC-MCNHTDSKSA-N. The full InChI is InChI=1S/C12H17N5O2.C2H2/c1-2-8-15-11(13)10-12(16-8)17(6-14-10)9-4-3-7(5-18)19-9;1-2/h6-7,9,18H,2-5H2,1H3,(H2,13,15,16);1-2H/t7-,9?;/m0./s1.
What are the key properties of acetylene;[(2S)-5-(6-amino-2-ethylpurin-9-yl)oxolan-2-yl]methanol?
acetylene;[(2S)-5-(6-amino-2-ethylpurin-9-yl)oxolan-2-yl]methanol has a molecular weight of 289.34 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;[(2S)-5-(6-amino-2-ethylpurin-9-yl)oxolan-2-yl]methanol is sourced from PubChem (CID 169190113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).