2-[(2-amino-6-methylpurin-9-yl)methoxy]butan-1-ol

C11H17N5O2 — CID 91543921

IUPAC2-[(2-amino-6-methylpurin-9-yl)methoxy]butan-1-ol
SMILESCCC(CO)OCn1cnc2c(C)nc(N)nc21
InChIInChI=1S/C11H17N5O2/c1-3-8(4-17)18-6-16-5-13-9-7(2)14-11(12)15-10(9)16/h5,8,17H,3-4,6H2,1-2H3,(H2,12,14,15)
InChIKeyVTGMTWNUHKEBHM-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.46
Rot. Bonds5

About 2-[(2-amino-6-methylpurin-9-yl)methoxy]butan-1-ol

2-[(2-amino-6-methylpurin-9-yl)methoxy]butan-1-ol (PubChem CID 91543921) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[(2-amino-6-methylpurin-9-yl)methoxy]butan-1-ol.

Molecular Properties

Compound Name2-[(2-amino-6-methylpurin-9-yl)methoxy]butan-1-ol
PubChem CID91543921
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name2-[(2-amino-6-methylpurin-9-yl)methoxy]butan-1-ol
SMILESCCC(CO)OCn1cnc2c(C)nc(N)nc21
InChIInChI=1S/C11H17N5O2/c1-3-8(4-17)18-6-16-5-13-9-7(2)14-11(12)15-10(9)16/h5,8,17H,3-4,6H2,1-2H3,(H2,12,14,15)
InChIKeyVTGMTWNUHKEBHM-UHFFFAOYSA-N
XLogP0.46
TPSA99.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-amino-9-(1,3-dihydroxypropan-2-yloxymethyl)purin-6-yl]-trimethylazanium
CID 11013029
(2S)-2-[(2,6-diaminopurin-9-yl)methoxy]-2-methoxyethanol
CID 143717485
9-(1-hydroxybutan-2-yloxymethyl)-2-(methylamino)-1H-purin-6-one
CID 135829676
2-amino-9-(1,3-dihydroxypropan-2-yloxymethyl)-1H-purin-6-one
CID 135398740
2-amino-9-(1-hydroxyhexan-2-yloxymethyl)-1H-purin-6-one
CID 135749844
6-chloro-9-[[(2S)-1-fluoro-3-[(R)-(4-methylphenyl)sulfinyl]propan-2-yl]oxymethyl]purin-2-amine
CID 10318658
[2-[[6-ethoxy-2-(methylamino)purin-9-yl]methoxy]-3-hydroxypropyl] ethyl carbonate
CID 70450657
2-[(6-aminopurin-9-yl)methoxy]-3-chloropropan-1-ol
CID 14410788
[(2S)-2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]-3-hydroxypropyl] (2R)-2-amino-3-methylbutanoate
CID 135543634
9-(1,3-dihydroxypropan-2-yloxymethyl)-2-methyl-1H-purin-6-one;[3-hydroxy-2-[(2-methyl-6-oxo-1H-purin-9-yl)methoxy]propyl] 2-amino-3-methylbutanoate
CID 158366910
2-amino-9-[[(2R)-4-diethoxyphosphoryl-1-hydroxybutan-2-yl]oxymethyl]-1H-purin-6-one
CID 135531228
2-[(2,6-diaminopurin-9-yl)methyl]propane-1,3-diol
CID 15516211

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-6-methylpurin-9-yl)methoxy]butan-1-ol?
The IUPAC name of 2-[(2-amino-6-methylpurin-9-yl)methoxy]butan-1-ol (CID 91543921) is 2-[(2-amino-6-methylpurin-9-yl)methoxy]butan-1-ol.
What is the SMILES notation for 2-[(2-amino-6-methylpurin-9-yl)methoxy]butan-1-ol?
The canonical SMILES for 2-[(2-amino-6-methylpurin-9-yl)methoxy]butan-1-ol is CCC(CO)OCn1cnc2c(C)nc(N)nc21.
What is the InChIKey of 2-[(2-amino-6-methylpurin-9-yl)methoxy]butan-1-ol?
The InChIKey is VTGMTWNUHKEBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-3-8(4-17)18-6-16-5-13-9-7(2)14-11(12)15-10(9)16/h5,8,17H,3-4,6H2,1-2H3,(H2,12,14,15).
What are the key properties of 2-[(2-amino-6-methylpurin-9-yl)methoxy]butan-1-ol?
2-[(2-amino-6-methylpurin-9-yl)methoxy]butan-1-ol has a molecular weight of 251.29 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-6-methylpurin-9-yl)methoxy]butan-1-ol is sourced from PubChem (CID 91543921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).