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

C14H23N5O3 — CID 173465414

IUPAC9-[1-[(3S)-1,2-dimethoxypentan-3-yl]oxyethyl]purin-6-amine
SMILESCC[C@H](OC(C)n1cnc2c(N)ncnc21)C(COC)OC
InChIInChI=1S/C14H23N5O3/c1-5-10(11(21-4)6-20-3)22-9(2)19-8-18-12-13(15)16-7-17-14(12)19/h7-11H,5-6H2,1-4H3,(H2,15,16,17)/t9?,10-,11?/m0/s1
InChIKeySVRPUNISYKIUOT-YVNMAJEFSA-N
MW309.37 g/mol
LogP1.38
Rot. Bonds8

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

9-[1-[(3S)-1,2-dimethoxypentan-3-yl]oxyethyl]purin-6-amine (PubChem CID 173465414) has the molecular formula C14H23N5O3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 9-[1-[(3S)-1,2-dimethoxypentan-3-yl]oxyethyl]purin-6-amine.

Molecular Properties

Compound Name9-[1-[(3S)-1,2-dimethoxypentan-3-yl]oxyethyl]purin-6-amine
PubChem CID173465414
Molecular FormulaC14H23N5O3
Molecular Weight309.37 g/mol
Exact Mass309.18
IUPAC Name9-[1-[(3S)-1,2-dimethoxypentan-3-yl]oxyethyl]purin-6-amine
SMILESCC[C@H](OC(C)n1cnc2c(N)ncnc21)C(COC)OC
InChIInChI=1S/C14H23N5O3/c1-5-10(11(21-4)6-20-3)22-9(2)19-8-18-12-13(15)16-7-17-14(12)19/h7-11H,5-6H2,1-4H3,(H2,15,16,17)/t9?,10-,11?/m0/s1
InChIKeySVRPUNISYKIUOT-YVNMAJEFSA-N
XLogP1.38
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

9-[1-[(3S)-2-methoxypentan-3-yl]oxyethyl]purin-6-amine
CID 173465384
[(3S)-3-[1-(6-aminopurin-9-yl)ethoxy]-1-hydroxypentan-2-yl] methyl hydrogen phosphate
CID 173465381
(2R)-2-[(1R)-1-(6-aminopurin-9-yl)-2-methoxyethoxy]butan-1-ol
CID 171447656
9-[2-[ethyl(methyl)amino]-1-methoxyethyl]purin-6-amine
CID 170584752
9-(3-methoxy-2-phosphanylpropyl)purin-6-amine
CID 57195073
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
[[2-[1-(6-aminopurin-9-yl)ethoxy]-3-chloropropoxy]-hydroxyphosphoryl] dimethoxyphosphoryl methyl phosphate
CID 123181386
(3R,5R)-5-(6-aminopurin-9-yl)-5-methoxypentane-1,3-diol
CID 139454133
9-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]purin-6-amine
CID 58657723
[(6-aminopurin-9-yl)-propan-2-yloxymethyl]phosphonic acid
CID 69163957

Frequently Asked Questions

What is the IUPAC name of 9-[1-[(3S)-1,2-dimethoxypentan-3-yl]oxyethyl]purin-6-amine?
The IUPAC name of 9-[1-[(3S)-1,2-dimethoxypentan-3-yl]oxyethyl]purin-6-amine (CID 173465414) is 9-[1-[(3S)-1,2-dimethoxypentan-3-yl]oxyethyl]purin-6-amine.
What is the SMILES notation for 9-[1-[(3S)-1,2-dimethoxypentan-3-yl]oxyethyl]purin-6-amine?
The canonical SMILES for 9-[1-[(3S)-1,2-dimethoxypentan-3-yl]oxyethyl]purin-6-amine is CC[C@H](OC(C)n1cnc2c(N)ncnc21)C(COC)OC.
What is the InChIKey of 9-[1-[(3S)-1,2-dimethoxypentan-3-yl]oxyethyl]purin-6-amine?
The InChIKey is SVRPUNISYKIUOT-YVNMAJEFSA-N. The full InChI is InChI=1S/C14H23N5O3/c1-5-10(11(21-4)6-20-3)22-9(2)19-8-18-12-13(15)16-7-17-14(12)19/h7-11H,5-6H2,1-4H3,(H2,15,16,17)/t9?,10-,11?/m0/s1.
What are the key properties of 9-[1-[(3S)-1,2-dimethoxypentan-3-yl]oxyethyl]purin-6-amine?
9-[1-[(3S)-1,2-dimethoxypentan-3-yl]oxyethyl]purin-6-amine has a molecular weight of 309.37 g/mol, XLogP of 1.38, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1-[(3S)-1,2-dimethoxypentan-3-yl]oxyethyl]purin-6-amine is sourced from PubChem (CID 173465414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).