2-(2-cyclodecylethoxy)-9-(5-methyloxolan-2-yl)purin-6-amine

C22H35N5O2 — CID 143563360

IUPAC2-(2-cyclodecylethoxy)-9-(5-methyloxolan-2-yl)purin-6-amine
SMILESCC1CCC(n2cnc3c(N)nc(OCCC4CCCCCCCCC4)nc32)O1
InChIInChI=1S/C22H35N5O2/c1-16-11-12-18(29-16)27-15-24-19-20(23)25-22(26-21(19)27)28-14-13-17-9-7-5-3-2-4-6-8-10-17/h15-18H,2-14H2,1H3,(H2,23,25,26)
InChIKeyMCLXPONZXJHEMB-UHFFFAOYSA-N
MW401.56 g/mol
LogP5.02
Rot. Bonds5

About 2-(2-cyclodecylethoxy)-9-(5-methyloxolan-2-yl)purin-6-amine

2-(2-cyclodecylethoxy)-9-(5-methyloxolan-2-yl)purin-6-amine (PubChem CID 143563360) has the molecular formula C22H35N5O2 and a molecular weight of 401.56 g/mol. Its IUPAC name is 2-(2-cyclodecylethoxy)-9-(5-methyloxolan-2-yl)purin-6-amine.

Molecular Properties

Compound Name2-(2-cyclodecylethoxy)-9-(5-methyloxolan-2-yl)purin-6-amine
PubChem CID143563360
Molecular FormulaC22H35N5O2
Molecular Weight401.56 g/mol
Exact Mass401.28
IUPAC Name2-(2-cyclodecylethoxy)-9-(5-methyloxolan-2-yl)purin-6-amine
SMILESCC1CCC(n2cnc3c(N)nc(OCCC4CCCCCCCCC4)nc32)O1
InChIInChI=1S/C22H35N5O2/c1-16-11-12-18(29-16)27-15-24-19-20(23)25-22(26-21(19)27)28-14-13-17-9-7-5-3-2-4-6-8-10-17/h15-18H,2-14H2,1H3,(H2,23,25,26)
InChIKeyMCLXPONZXJHEMB-UHFFFAOYSA-N
XLogP5.02
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.56
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[6-amino-2-(2-cyclohexylethoxy)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 14842857
(3S,4R,5S)-2-[6-amino-2-(2-cyclohexylethoxy)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 46874471
9-(6-methyloxan-2-yl)purin-6-amine
CID 91511498
(2R,3R,4S,5S)-2-[6-amino-2-(cyclobutylmethoxy)purin-9-yl]-5-(methylsulfanylmethyl)oxolane-3,4-diol
CID 68936813
[(2S)-5-(6-amino-2-methylpurin-9-yl)oxolan-2-yl]methanol
CID 143654262
9-[(2S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-chloropurin-6-amine
CID 11101039
(2R,3S,4R,5R)-4-amino-5-(6-amino-2-cyclopentyloxypurin-9-yl)-2-methyloxolan-3-ol
CID 68931311
2-(6-amino-2-cyclohexyloxypurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 14842853
(2R,3R,4S,5R)-2-(6-amino-2-propoxypurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;bicyclo[2.2.1]heptane
CID 121486738
(2R,3R,4R,5R)-5-(6-amino-2-cyclopentyloxypurin-9-yl)-4-bromo-2-methyloxolan-3-ol
CID 68933383
N-cyclohexyl-N-methyl-9-(5-methyloxolan-2-yl)-2-methylsulfanylpurin-6-amine
CID 142808637
[(2S)-5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methanol
CID 153392880

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclodecylethoxy)-9-(5-methyloxolan-2-yl)purin-6-amine?
The IUPAC name of 2-(2-cyclodecylethoxy)-9-(5-methyloxolan-2-yl)purin-6-amine (CID 143563360) is 2-(2-cyclodecylethoxy)-9-(5-methyloxolan-2-yl)purin-6-amine.
What is the SMILES notation for 2-(2-cyclodecylethoxy)-9-(5-methyloxolan-2-yl)purin-6-amine?
The canonical SMILES for 2-(2-cyclodecylethoxy)-9-(5-methyloxolan-2-yl)purin-6-amine is CC1CCC(n2cnc3c(N)nc(OCCC4CCCCCCCCC4)nc32)O1.
What is the InChIKey of 2-(2-cyclodecylethoxy)-9-(5-methyloxolan-2-yl)purin-6-amine?
The InChIKey is MCLXPONZXJHEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N5O2/c1-16-11-12-18(29-16)27-15-24-19-20(23)25-22(26-21(19)27)28-14-13-17-9-7-5-3-2-4-6-8-10-17/h15-18H,2-14H2,1H3,(H2,23,25,26).
What are the key properties of 2-(2-cyclodecylethoxy)-9-(5-methyloxolan-2-yl)purin-6-amine?
2-(2-cyclodecylethoxy)-9-(5-methyloxolan-2-yl)purin-6-amine has a molecular weight of 401.56 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclodecylethoxy)-9-(5-methyloxolan-2-yl)purin-6-amine is sourced from PubChem (CID 143563360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).