9-cyclohexyl-2-(6-morpholin-4-yl-3-pyridinyl)-N-(2-phenoxyethyl)purin-6-amine

C28H33N7O2 — CID 117089841

IUPAC9-cyclohexyl-2-(6-morpholin-4-yl-3-pyridinyl)-N-(2-phenoxyethyl)purin-6-amine
SMILESc1ccc(OCCNc2nc(-c3ccc(N4CCOCC4)nc3)nc3c2ncn3C2CCCCC2)cc1
InChIInChI=1S/C28H33N7O2/c1-3-7-22(8-4-1)35-20-31-25-27(29-13-16-37-23-9-5-2-6-10-23)32-26(33-28(25)35)21-11-12-24(30-19-21)34-14-17-36-18-15-34/h2,5-6,9-12,19-20,22H,1,3-4,7-8,13-18H2,(H,29,32,33)
InChIKeyCPDWUHWWXMZXBR-UHFFFAOYSA-N
MW499.62 g/mol
LogP4.72
Rot. Bonds8

About 9-cyclohexyl-2-(6-morpholin-4-yl-3-pyridinyl)-N-(2-phenoxyethyl)purin-6-amine

9-cyclohexyl-2-(6-morpholin-4-yl-3-pyridinyl)-N-(2-phenoxyethyl)purin-6-amine (PubChem CID 117089841) has the molecular formula C28H33N7O2 and a molecular weight of 499.62 g/mol. Its IUPAC name is 9-cyclohexyl-2-(6-morpholin-4-yl-3-pyridinyl)-N-(2-phenoxyethyl)purin-6-amine.

Molecular Properties

Compound Name9-cyclohexyl-2-(6-morpholin-4-yl-3-pyridinyl)-N-(2-phenoxyethyl)purin-6-amine
PubChem CID117089841
Molecular FormulaC28H33N7O2
Molecular Weight499.62 g/mol
Exact Mass499.27
IUPAC Name9-cyclohexyl-2-(6-morpholin-4-yl-3-pyridinyl)-N-(2-phenoxyethyl)purin-6-amine
SMILESc1ccc(OCCNc2nc(-c3ccc(N4CCOCC4)nc3)nc3c2ncn3C2CCCCC2)cc1
InChIInChI=1S/C28H33N7O2/c1-3-7-22(8-4-1)35-20-31-25-27(29-13-16-37-23-9-5-2-6-10-23)32-26(33-28(25)35)21-11-12-24(30-19-21)34-14-17-36-18-15-34/h2,5-6,9-12,19-20,22H,1,3-4,7-8,13-18H2,(H,29,32,33)
InChIKeyCPDWUHWWXMZXBR-UHFFFAOYSA-N
XLogP4.72
TPSA90.22 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.62
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 9-cyclohexyl-2-(6-morpholin-4-yl-3-pyridinyl)-N-(2-phenoxyethyl)purin-6-amine with MolForge

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Launch Full Analysis

Related Compounds

2-(6-morpholin-4-yl-3-pyridinyl)-N-(2-phenoxyethyl)-9-phenylpurin-6-amine
CID 117082236
9-cyclohexyl-N-cyclopropyl-2-(6-morpholin-4-yl-3-pyridinyl)purin-6-amine
CID 117089738
2-(6-morpholin-4-yl-3-pyridinyl)-N-(2-phenoxyethyl)-9-[[4-(trifluoromethyl)phenyl]methyl]purin-6-amine
CID 117082690
2-(3-aminophenyl)-9-cyclohexyl-N-(2-phenoxyethyl)purin-6-amine
CID 117080754
[4-[9-cyclohexyl-6-(2-phenoxyethylamino)purin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 117085522
2-[[2-(6-morpholin-4-yl-3-pyridinyl)-9-phenylpurin-6-yl]amino]ethanol
CID 117081487
9-cyclohexyl-N-(4-morpholin-4-ylphenyl)-2-phenylpurin-6-amine
CID 117085834
N-[2-(4-methoxyphenyl)ethyl]-2-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-amine
CID 117082898
9-cyclohexyl-2-N-(1-methylbenzimidazol-2-yl)-6-N-(2-phenoxyethyl)purine-2,6-diamine
CID 117087399
9-cyclohexyl-2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)purin-6-amine
CID 117084130
2-N-(4-morpholin-4-ylphenyl)-6-N-(2-phenoxyethyl)-9-phenylpurine-2,6-diamine
CID 117089790
9-cyclohexyl-2-(6-methoxy-3-pyridinyl)-N-(4-phenoxyphenyl)purin-6-amine
CID 117093779

Frequently Asked Questions

What is the IUPAC name of 9-cyclohexyl-2-(6-morpholin-4-yl-3-pyridinyl)-N-(2-phenoxyethyl)purin-6-amine?
The IUPAC name of 9-cyclohexyl-2-(6-morpholin-4-yl-3-pyridinyl)-N-(2-phenoxyethyl)purin-6-amine (CID 117089841) is 9-cyclohexyl-2-(6-morpholin-4-yl-3-pyridinyl)-N-(2-phenoxyethyl)purin-6-amine.
What is the SMILES notation for 9-cyclohexyl-2-(6-morpholin-4-yl-3-pyridinyl)-N-(2-phenoxyethyl)purin-6-amine?
The canonical SMILES for 9-cyclohexyl-2-(6-morpholin-4-yl-3-pyridinyl)-N-(2-phenoxyethyl)purin-6-amine is c1ccc(OCCNc2nc(-c3ccc(N4CCOCC4)nc3)nc3c2ncn3C2CCCCC2)cc1.
What is the InChIKey of 9-cyclohexyl-2-(6-morpholin-4-yl-3-pyridinyl)-N-(2-phenoxyethyl)purin-6-amine?
The InChIKey is CPDWUHWWXMZXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N7O2/c1-3-7-22(8-4-1)35-20-31-25-27(29-13-16-37-23-9-5-2-6-10-23)32-26(33-28(25)35)21-11-12-24(30-19-21)34-14-17-36-18-15-34/h2,5-6,9-12,19-20,22H,1,3-4,7-8,13-18H2,(H,29,32,33).
What are the key properties of 9-cyclohexyl-2-(6-morpholin-4-yl-3-pyridinyl)-N-(2-phenoxyethyl)purin-6-amine?
9-cyclohexyl-2-(6-morpholin-4-yl-3-pyridinyl)-N-(2-phenoxyethyl)purin-6-amine has a molecular weight of 499.62 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclohexyl-2-(6-morpholin-4-yl-3-pyridinyl)-N-(2-phenoxyethyl)purin-6-amine is sourced from PubChem (CID 117089841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).