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

C12H14ClN5O2 — CID 163227421

IUPACacetylene;[5-(6-amino-2-chloropurin-9-yl)oxolan-2-yl]methanol
SMILESC#C.Nc1nc(Cl)nc2c1ncn2C1CCC(CO)O1
InChIInChI=1S/C10H12ClN5O2.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
InChIKeyRMVJRZYKZCVYCG-UHFFFAOYSA-N
MW295.73 g/mol
LogP0.98
Rot. Bonds2

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

acetylene;[5-(6-amino-2-chloropurin-9-yl)oxolan-2-yl]methanol (PubChem CID 163227421) has the molecular formula C12H14ClN5O2 and a molecular weight of 295.73 g/mol. Its IUPAC name is acetylene;[5-(6-amino-2-chloropurin-9-yl)oxolan-2-yl]methanol.

Molecular Properties

Compound Nameacetylene;[5-(6-amino-2-chloropurin-9-yl)oxolan-2-yl]methanol
PubChem CID163227421
Molecular FormulaC12H14ClN5O2
Molecular Weight295.73 g/mol
Exact Mass295.08
IUPAC Nameacetylene;[5-(6-amino-2-chloropurin-9-yl)oxolan-2-yl]methanol
SMILESC#C.Nc1nc(Cl)nc2c1ncn2C1CCC(CO)O1
InChIInChI=1S/C10H12ClN5O2.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
InChIKeyRMVJRZYKZCVYCG-UHFFFAOYSA-N
XLogP0.98
TPSA99.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze acetylene;[5-(6-amino-2-chloropurin-9-yl)oxolan-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

acetylene;[5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methanol
CID 145281051
acetylene;[(2S)-5-(6-amino-2-ethylpurin-9-yl)oxolan-2-yl]methanol
CID 169190113
[(2S)-5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methanol
CID 153392880
[(2S)-5-(6-amino-2-methylpurin-9-yl)oxolan-2-yl]methanol
CID 143654262
[4-(6-amino-2-chloropurin-9-yl)-1,3-dioxolan-2-yl]methanol
CID 21145907
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
9-[(2S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-chloropurin-6-amine
CID 11101039
[(2S,3R,5R)-5-(6-amino-2-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]methanol
CID 101038148
[(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

Frequently Asked Questions

What is the IUPAC name of acetylene;[5-(6-amino-2-chloropurin-9-yl)oxolan-2-yl]methanol?
The IUPAC name of acetylene;[5-(6-amino-2-chloropurin-9-yl)oxolan-2-yl]methanol (CID 163227421) is acetylene;[5-(6-amino-2-chloropurin-9-yl)oxolan-2-yl]methanol.
What is the SMILES notation for acetylene;[5-(6-amino-2-chloropurin-9-yl)oxolan-2-yl]methanol?
The canonical SMILES for acetylene;[5-(6-amino-2-chloropurin-9-yl)oxolan-2-yl]methanol is C#C.Nc1nc(Cl)nc2c1ncn2C1CCC(CO)O1.
What is the InChIKey of acetylene;[5-(6-amino-2-chloropurin-9-yl)oxolan-2-yl]methanol?
The InChIKey is RMVJRZYKZCVYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5O2.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-chloropurin-9-yl)oxolan-2-yl]methanol?
acetylene;[5-(6-amino-2-chloropurin-9-yl)oxolan-2-yl]methanol has a molecular weight of 295.73 g/mol, XLogP of 0.98, 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-chloropurin-9-yl)oxolan-2-yl]methanol is sourced from PubChem (CID 163227421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).