9-[1-[(3S)-2-methoxypentan-3-yl]oxyethyl]purin-6-amine

C13H21N5O2 — CID 173465384

IUPAC9-[1-[(3S)-2-methoxypentan-3-yl]oxyethyl]purin-6-amine
SMILESCC[C@H](OC(C)n1cnc2c(N)ncnc21)C(C)OC
InChIInChI=1S/C13H21N5O2/c1-5-10(8(2)19-4)20-9(3)18-7-17-11-12(14)15-6-16-13(11)18/h6-10H,5H2,1-4H3,(H2,14,15,16)/t8?,9?,10-/m0/s1
InChIKeyXBAZXLGXMKGMGT-RTBKNWGFSA-N
MW279.34 g/mol
LogP1.76
Rot. Bonds6

About 9-[1-[(3S)-2-methoxypentan-3-yl]oxyethyl]purin-6-amine

9-[1-[(3S)-2-methoxypentan-3-yl]oxyethyl]purin-6-amine (PubChem CID 173465384) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 9-[1-[(3S)-2-methoxypentan-3-yl]oxyethyl]purin-6-amine.

Molecular Properties

Compound Name9-[1-[(3S)-2-methoxypentan-3-yl]oxyethyl]purin-6-amine
PubChem CID173465384
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name9-[1-[(3S)-2-methoxypentan-3-yl]oxyethyl]purin-6-amine
SMILESCC[C@H](OC(C)n1cnc2c(N)ncnc21)C(C)OC
InChIInChI=1S/C13H21N5O2/c1-5-10(8(2)19-4)20-9(3)18-7-17-11-12(14)15-6-16-13(11)18/h6-10H,5H2,1-4H3,(H2,14,15,16)/t8?,9?,10-/m0/s1
InChIKeyXBAZXLGXMKGMGT-RTBKNWGFSA-N
XLogP1.76
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

9-[1-[(3S)-1,2-dimethoxypentan-3-yl]oxyethyl]purin-6-amine
CID 173465414
[(3S)-3-[1-(6-aminopurin-9-yl)ethoxy]-1-hydroxypentan-2-yl] methyl hydrogen phosphate
CID 173465381
9-[2-[ethyl(methyl)amino]-1-methoxyethyl]purin-6-amine
CID 170584752
(2R)-2-[(1R)-1-(6-aminopurin-9-yl)-2-methoxyethoxy]butan-1-ol
CID 171447656
9-(1-aminopentyl)purin-6-amine
CID 174938588
(2S,3S)-3-(6-aminopurin-9-yl)hexan-2-ol
CID 67145035
[2-(6-aminopurin-9-yl)-2-methoxyethyl]phosphonic acid
CID 68654544
(3R,5R)-5-(6-aminopurin-9-yl)-5-methoxypentane-1,3-diol
CID 139454133
[(6-aminopurin-9-yl)-propan-2-yloxymethyl]phosphonic acid
CID 69163957
2-[1-(6-aminopurin-9-yl)-2-oxoethoxy]-3-tri(propan-2-yl)silyloxypropanal
CID 59283952
(2R,3S)-2-[(1R)-1-(6-aminopurin-9-yl)ethoxy]-2-ethynylbutane-1,3-diol
CID 129212729
2-(6-aminopurin-9-yl)pentane-1,4-diol
CID 58657770

Frequently Asked Questions

What is the IUPAC name of 9-[1-[(3S)-2-methoxypentan-3-yl]oxyethyl]purin-6-amine?
The IUPAC name of 9-[1-[(3S)-2-methoxypentan-3-yl]oxyethyl]purin-6-amine (CID 173465384) is 9-[1-[(3S)-2-methoxypentan-3-yl]oxyethyl]purin-6-amine.
What is the SMILES notation for 9-[1-[(3S)-2-methoxypentan-3-yl]oxyethyl]purin-6-amine?
The canonical SMILES for 9-[1-[(3S)-2-methoxypentan-3-yl]oxyethyl]purin-6-amine is CC[C@H](OC(C)n1cnc2c(N)ncnc21)C(C)OC.
What is the InChIKey of 9-[1-[(3S)-2-methoxypentan-3-yl]oxyethyl]purin-6-amine?
The InChIKey is XBAZXLGXMKGMGT-RTBKNWGFSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-5-10(8(2)19-4)20-9(3)18-7-17-11-12(14)15-6-16-13(11)18/h6-10H,5H2,1-4H3,(H2,14,15,16)/t8?,9?,10-/m0/s1.
What are the key properties of 9-[1-[(3S)-2-methoxypentan-3-yl]oxyethyl]purin-6-amine?
9-[1-[(3S)-2-methoxypentan-3-yl]oxyethyl]purin-6-amine has a molecular weight of 279.34 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1-[(3S)-2-methoxypentan-3-yl]oxyethyl]purin-6-amine is sourced from PubChem (CID 173465384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).