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

C13H19N5O3 — CID 165130368

IUPACacetylene;[5-(6-aminopurin-9-yl)oxolan-2-yl]methanol;methanol
SMILESC#C.CO.Nc1ncnc2c1ncn2C1CCC(CO)O1
InChIInChI=1S/C10H13N5O2.C2H2.CH4O/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(3-16)17-7;2*1-2/h4-7,16H,1-3H2,(H2,11,12,13);1-2H;2H,1H3
InChIKeyBGJMABXSHFRCQA-UHFFFAOYSA-N
MW293.33 g/mol
LogP-0.06
Rot. Bonds2

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

acetylene;[5-(6-aminopurin-9-yl)oxolan-2-yl]methanol;methanol (PubChem CID 165130368) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is acetylene;[5-(6-aminopurin-9-yl)oxolan-2-yl]methanol;methanol.

Molecular Properties

Compound Nameacetylene;[5-(6-aminopurin-9-yl)oxolan-2-yl]methanol;methanol
PubChem CID165130368
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC Nameacetylene;[5-(6-aminopurin-9-yl)oxolan-2-yl]methanol;methanol
SMILESC#C.CO.Nc1ncnc2c1ncn2C1CCC(CO)O1
InChIInChI=1S/C10H13N5O2.C2H2.CH4O/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(3-16)17-7;2*1-2/h4-7,16H,1-3H2,(H2,11,12,13);1-2H;2H,1H3
InChIKeyBGJMABXSHFRCQA-UHFFFAOYSA-N
XLogP-0.06
TPSA119.31 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[(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
acetylene;[(2S)-5-(6-amino-2-ethylpurin-9-yl)oxolan-2-yl]methanol
CID 169190113
[(2S,5S)-5-(6-fluoropurin-9-yl)oxolan-2-yl]methanol
CID 67868000
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
[5-(6-aminopurin-9-yl)oxolan-2-yl]methoxyphosphanylmethanol
CID 170179293
[(2S)-5-(6-amino-2-methylpurin-9-yl)oxolan-2-yl]methanol
CID 143654262
[5-[6-(diethylamino)purin-9-yl]oxolan-2-yl]methanol
CID 71339758
[(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methylthiourea
CID 142299425
[5-(6-aminopurin-9-yl)oxolan-2-yl]methyl methyl hydrogen phosphite
CID 138569278
[5-[6-(prop-2-ynylamino)purin-9-yl]oxolan-2-yl]methanol
CID 142808553

Frequently Asked Questions

What is the IUPAC name of acetylene;[5-(6-aminopurin-9-yl)oxolan-2-yl]methanol;methanol?
The IUPAC name of acetylene;[5-(6-aminopurin-9-yl)oxolan-2-yl]methanol;methanol (CID 165130368) is acetylene;[5-(6-aminopurin-9-yl)oxolan-2-yl]methanol;methanol.
What is the SMILES notation for acetylene;[5-(6-aminopurin-9-yl)oxolan-2-yl]methanol;methanol?
The canonical SMILES for acetylene;[5-(6-aminopurin-9-yl)oxolan-2-yl]methanol;methanol is C#C.CO.Nc1ncnc2c1ncn2C1CCC(CO)O1.
What is the InChIKey of acetylene;[5-(6-aminopurin-9-yl)oxolan-2-yl]methanol;methanol?
The InChIKey is BGJMABXSHFRCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2.C2H2.CH4O/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(3-16)17-7;2*1-2/h4-7,16H,1-3H2,(H2,11,12,13);1-2H;2H,1H3.
What are the key properties of acetylene;[5-(6-aminopurin-9-yl)oxolan-2-yl]methanol;methanol?
acetylene;[5-(6-aminopurin-9-yl)oxolan-2-yl]methanol;methanol has a molecular weight of 293.33 g/mol, XLogP of -0.06, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;[5-(6-aminopurin-9-yl)oxolan-2-yl]methanol;methanol is sourced from PubChem (CID 165130368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).