(2R)-2-[(1R)-1-(6-aminopurin-9-yl)-2-methoxyethoxy]butan-1-ol

C12H19N5O3 — CID 171447656

IUPAC(2R)-2-[(1R)-1-(6-aminopurin-9-yl)-2-methoxyethoxy]butan-1-ol
SMILESCC[C@H](CO)O[C@H](COC)n1cnc2c(N)ncnc21
InChIInChI=1S/C12H19N5O3/c1-3-8(4-18)20-9(5-19-2)17-7-16-10-11(13)14-6-15-12(10)17/h6-9,18H,3-5H2,1-2H3,(H2,13,14,15)/t8-,9-/m1/s1
InChIKeyKBYDLZLMSPRTBI-RKDXNWHRSA-N
MW281.32 g/mol
LogP0.34
Rot. Bonds7

About (2R)-2-[(1R)-1-(6-aminopurin-9-yl)-2-methoxyethoxy]butan-1-ol

(2R)-2-[(1R)-1-(6-aminopurin-9-yl)-2-methoxyethoxy]butan-1-ol (PubChem CID 171447656) has the molecular formula C12H19N5O3 and a molecular weight of 281.32 g/mol. Its IUPAC name is (2R)-2-[(1R)-1-(6-aminopurin-9-yl)-2-methoxyethoxy]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(1R)-1-(6-aminopurin-9-yl)-2-methoxyethoxy]butan-1-ol
PubChem CID171447656
Molecular FormulaC12H19N5O3
Molecular Weight281.32 g/mol
Exact Mass281.15
IUPAC Name(2R)-2-[(1R)-1-(6-aminopurin-9-yl)-2-methoxyethoxy]butan-1-ol
SMILESCC[C@H](CO)O[C@H](COC)n1cnc2c(N)ncnc21
InChIInChI=1S/C12H19N5O3/c1-3-8(4-18)20-9(5-19-2)17-7-16-10-11(13)14-6-15-12(10)17/h6-9,18H,3-5H2,1-2H3,(H2,13,14,15)/t8-,9-/m1/s1
InChIKeyKBYDLZLMSPRTBI-RKDXNWHRSA-N
XLogP0.34
TPSA108.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

9-[1-[(3S)-1,2-dimethoxypentan-3-yl]oxyethyl]purin-6-amine
CID 173465414
[[(2S)-2-[(1R)-1-(6-aminopurin-9-yl)-2-hydroxyethoxy]-3-hydroxypropoxy]-hydroxyphosphoryl]oxy-N-[[[(2S)-2-[(1R)-1-(6-aminopurin-9-yl)-2-hydroxyethoxy]-3-hydroxypropoxy]-hydroxyphosphoryl]oxy-hydroxyphosphoryl]phosphonamidic acid
CID 90065213
(1R,2S)-1-(6-aminopurin-9-yl)-1-[(2S)-1-chloro-3-hydroxypropan-2-yl]oxypropan-2-ol
CID 121245886
(1R,2S)-1-(6-aminopurin-9-yl)-1-[(2S)-1-dihydroxyphosphinothioyloxy-3-hydroxypropan-2-yl]oxypropan-2-ol
CID 130355888
9-[2-[ethyl(methyl)amino]-1-methoxyethyl]purin-6-amine
CID 170584752
(3R,5R)-5-(6-aminopurin-9-yl)-5-methoxypentane-1,3-diol
CID 139454133
[(2R)-2-(6-benzamidopurin-9-yl)-2-[(2R)-1-hydroxybutan-2-yl]oxyethyl] benzoate
CID 70904333
[2-(6-aminopurin-9-yl)-2-methoxyethyl]phosphonic acid
CID 68654544
9-[1-[(3S)-2-methoxypentan-3-yl]oxyethyl]purin-6-amine
CID 173465384
2-(6-aminopurin-9-yl)pentane-1,4-diol
CID 58657770
(2S,3S)-3-(6-aminopurin-9-yl)hexan-2-ol
CID 67145035
4-(6-aminopurin-9-yl)-2-methoxypentan-1-ol;(4-chlorophenyl)methanediol
CID 143411589

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1R)-1-(6-aminopurin-9-yl)-2-methoxyethoxy]butan-1-ol?
The IUPAC name of (2R)-2-[(1R)-1-(6-aminopurin-9-yl)-2-methoxyethoxy]butan-1-ol (CID 171447656) is (2R)-2-[(1R)-1-(6-aminopurin-9-yl)-2-methoxyethoxy]butan-1-ol.
What is the SMILES notation for (2R)-2-[(1R)-1-(6-aminopurin-9-yl)-2-methoxyethoxy]butan-1-ol?
The canonical SMILES for (2R)-2-[(1R)-1-(6-aminopurin-9-yl)-2-methoxyethoxy]butan-1-ol is CC[C@H](CO)O[C@H](COC)n1cnc2c(N)ncnc21.
What is the InChIKey of (2R)-2-[(1R)-1-(6-aminopurin-9-yl)-2-methoxyethoxy]butan-1-ol?
The InChIKey is KBYDLZLMSPRTBI-RKDXNWHRSA-N. The full InChI is InChI=1S/C12H19N5O3/c1-3-8(4-18)20-9(5-19-2)17-7-16-10-11(13)14-6-15-12(10)17/h6-9,18H,3-5H2,1-2H3,(H2,13,14,15)/t8-,9-/m1/s1.
What are the key properties of (2R)-2-[(1R)-1-(6-aminopurin-9-yl)-2-methoxyethoxy]butan-1-ol?
(2R)-2-[(1R)-1-(6-aminopurin-9-yl)-2-methoxyethoxy]butan-1-ol has a molecular weight of 281.32 g/mol, XLogP of 0.34, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1R)-1-(6-aminopurin-9-yl)-2-methoxyethoxy]butan-1-ol is sourced from PubChem (CID 171447656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).