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

C11H15N5O2 — CID 143654262

IUPAC[(2S)-5-(6-amino-2-methylpurin-9-yl)oxolan-2-yl]methanol
SMILESCc1nc(N)c2ncn(C3CC[C@@H](CO)O3)c2n1
InChIInChI=1S/C11H15N5O2/c1-6-14-10(12)9-11(15-6)16(5-13-9)8-3-2-7(4-17)18-8/h5,7-8,17H,2-4H2,1H3,(H2,12,14,15)/t7-,8?/m0/s1
InChIKeyYHPZZYHUFSCIGO-JAMMHHFISA-N
MW249.27 g/mol
LogP0.39
Rot. Bonds2

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

[(2S)-5-(6-amino-2-methylpurin-9-yl)oxolan-2-yl]methanol (PubChem CID 143654262) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is [(2S)-5-(6-amino-2-methylpurin-9-yl)oxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-5-(6-amino-2-methylpurin-9-yl)oxolan-2-yl]methanol
PubChem CID143654262
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name[(2S)-5-(6-amino-2-methylpurin-9-yl)oxolan-2-yl]methanol
SMILESCc1nc(N)c2ncn(C3CC[C@@H](CO)O3)c2n1
InChIInChI=1S/C11H15N5O2/c1-6-14-10(12)9-11(15-6)16(5-13-9)8-3-2-7(4-17)18-8/h5,7-8,17H,2-4H2,1H3,(H2,12,14,15)/t7-,8?/m0/s1
InChIKeyYHPZZYHUFSCIGO-JAMMHHFISA-N
XLogP0.39
TPSA99.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[(2S)-5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methanol
CID 153392880
acetylene;[(2S)-5-(6-amino-2-ethylpurin-9-yl)oxolan-2-yl]methanol
CID 169190113
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
[(5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methanol
CID 135258304
acetylene;[5-(6-aminopurin-9-yl)oxolan-2-yl]methanol;methanol
CID 165130368
(3R)-2-(6-amino-2-methylpurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
CID 143600600
[(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
acetylene;[5-(6-amino-2-methylpurin-9-yl)oxolan-2-yl]methyl tetradecanoate;ethane
CID 156861166
1,2-diamino-9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]purin-6-one
CID 130402904
[5-[6-(2,2-diphenylethylamino)-2-methylpurin-9-yl]oxolan-2-yl]methanol
CID 142032624

Frequently Asked Questions

What is the IUPAC name of [(2S)-5-(6-amino-2-methylpurin-9-yl)oxolan-2-yl]methanol?
The IUPAC name of [(2S)-5-(6-amino-2-methylpurin-9-yl)oxolan-2-yl]methanol (CID 143654262) is [(2S)-5-(6-amino-2-methylpurin-9-yl)oxolan-2-yl]methanol.
What is the SMILES notation for [(2S)-5-(6-amino-2-methylpurin-9-yl)oxolan-2-yl]methanol?
The canonical SMILES for [(2S)-5-(6-amino-2-methylpurin-9-yl)oxolan-2-yl]methanol is Cc1nc(N)c2ncn(C3CC[C@@H](CO)O3)c2n1.
What is the InChIKey of [(2S)-5-(6-amino-2-methylpurin-9-yl)oxolan-2-yl]methanol?
The InChIKey is YHPZZYHUFSCIGO-JAMMHHFISA-N. The full InChI is InChI=1S/C11H15N5O2/c1-6-14-10(12)9-11(15-6)16(5-13-9)8-3-2-7(4-17)18-8/h5,7-8,17H,2-4H2,1H3,(H2,12,14,15)/t7-,8?/m0/s1.
What are the key properties of [(2S)-5-(6-amino-2-methylpurin-9-yl)oxolan-2-yl]methanol?
[(2S)-5-(6-amino-2-methylpurin-9-yl)oxolan-2-yl]methanol has a molecular weight of 249.27 g/mol, XLogP of 0.39, 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-methylpurin-9-yl)oxolan-2-yl]methanol is sourced from PubChem (CID 143654262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).