8-morpholin-4-yl-N-(2-phenoxyethyl)-9-propan-2-ylpurin-6-amine

C20H26N6O2 — CID 117085681

IUPAC8-morpholin-4-yl-N-(2-phenoxyethyl)-9-propan-2-ylpurin-6-amine
SMILESCC(C)n1c(N2CCOCC2)nc2c(NCCOc3ccccc3)ncnc21
InChIInChI=1S/C20H26N6O2/c1-15(2)26-19-17(24-20(26)25-9-12-27-13-10-25)18(22-14-23-19)21-8-11-28-16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3,(H,21,22,23)
InChIKeyMOMGXIDZSHXPTH-UHFFFAOYSA-N
MW382.47 g/mol
LogP2.73
Rot. Bonds7

About 8-morpholin-4-yl-N-(2-phenoxyethyl)-9-propan-2-ylpurin-6-amine

8-morpholin-4-yl-N-(2-phenoxyethyl)-9-propan-2-ylpurin-6-amine (PubChem CID 117085681) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 8-morpholin-4-yl-N-(2-phenoxyethyl)-9-propan-2-ylpurin-6-amine.

Molecular Properties

Compound Name8-morpholin-4-yl-N-(2-phenoxyethyl)-9-propan-2-ylpurin-6-amine
PubChem CID117085681
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name8-morpholin-4-yl-N-(2-phenoxyethyl)-9-propan-2-ylpurin-6-amine
SMILESCC(C)n1c(N2CCOCC2)nc2c(NCCOc3ccccc3)ncnc21
InChIInChI=1S/C20H26N6O2/c1-15(2)26-19-17(24-20(26)25-9-12-27-13-10-25)18(22-14-23-19)21-8-11-28-16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3,(H,21,22,23)
InChIKeyMOMGXIDZSHXPTH-UHFFFAOYSA-N
XLogP2.73
TPSA77.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-N-(4-morpholin-4-ylphenyl)-6-N-phenyl-9-propan-2-ylpurine-6,8-diamine
CID 117092748
N-phenyl-9-propan-2-yl-8-(4-pyridin-2-ylpiperazin-1-yl)purin-6-amine
CID 117082889
N-(2-morpholin-4-ylethyl)-9-propan-2-yl-8-thiophen-2-ylpurin-6-amine
CID 117090219
2-N-(4-morpholin-4-ylphenyl)-6-N-(2-phenoxyethyl)-9-phenylpurine-2,6-diamine
CID 117089790
4-[2-[[8-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-yl]amino]ethyl]phenol
CID 117081260
2-(6-morpholin-4-yl-3-pyridinyl)-N-(2-phenoxyethyl)-9-phenylpurin-6-amine
CID 117082236
[1-[6-[2-(4-methoxyphenyl)ethylamino]-9-propan-2-ylpurin-8-yl]pyrrolidin-2-yl]methanol
CID 117084444
6-hydrazinyl-N-(2-phenoxyethyl)-5-propan-2-ylpyrimidin-4-amine
CID 80902452
6-N-[2-[di(propan-2-yl)amino]ethyl]-8-N-phenyl-9-propan-2-ylpurine-6,8-diamine
CID 117091762
N-cyclopropyl-8-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-amine
CID 117091182
N-(3-phenoxypropyl)morpholin-4-amine
CID 83021073
9-propan-2-yl-6-N-propyl-8-N-pyridin-3-ylpurine-6,8-diamine
CID 117089787

Frequently Asked Questions

What is the IUPAC name of 8-morpholin-4-yl-N-(2-phenoxyethyl)-9-propan-2-ylpurin-6-amine?
The IUPAC name of 8-morpholin-4-yl-N-(2-phenoxyethyl)-9-propan-2-ylpurin-6-amine (CID 117085681) is 8-morpholin-4-yl-N-(2-phenoxyethyl)-9-propan-2-ylpurin-6-amine.
What is the SMILES notation for 8-morpholin-4-yl-N-(2-phenoxyethyl)-9-propan-2-ylpurin-6-amine?
The canonical SMILES for 8-morpholin-4-yl-N-(2-phenoxyethyl)-9-propan-2-ylpurin-6-amine is CC(C)n1c(N2CCOCC2)nc2c(NCCOc3ccccc3)ncnc21.
What is the InChIKey of 8-morpholin-4-yl-N-(2-phenoxyethyl)-9-propan-2-ylpurin-6-amine?
The InChIKey is MOMGXIDZSHXPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-15(2)26-19-17(24-20(26)25-9-12-27-13-10-25)18(22-14-23-19)21-8-11-28-16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3,(H,21,22,23).
What are the key properties of 8-morpholin-4-yl-N-(2-phenoxyethyl)-9-propan-2-ylpurin-6-amine?
8-morpholin-4-yl-N-(2-phenoxyethyl)-9-propan-2-ylpurin-6-amine has a molecular weight of 382.47 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-morpholin-4-yl-N-(2-phenoxyethyl)-9-propan-2-ylpurin-6-amine is sourced from PubChem (CID 117085681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).