9-cyclohexyl-N-(2-morpholin-4-ylethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)purin-6-amine

C26H42N8O2 — CID 117085252

IUPAC9-cyclohexyl-N-(2-morpholin-4-ylethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)purin-6-amine
SMILESc1nc2c(NCCN3CCOCC3)nc(N3CCC(N4CCOCC4)CC3)nc2n1C1CCCCC1
InChIInChI=1S/C26H42N8O2/c1-2-4-22(5-3-1)34-20-28-23-24(27-8-11-31-12-16-35-17-13-31)29-26(30-25(23)34)33-9-6-21(7-10-33)32-14-18-36-19-15-32/h20-22H,1-19H2,(H,27,29,30)
InChIKeyPRJAFIIVYGYXOG-UHFFFAOYSA-N
MW498.68 g/mol
LogP2.38
Rot. Bonds7

About 9-cyclohexyl-N-(2-morpholin-4-ylethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)purin-6-amine

9-cyclohexyl-N-(2-morpholin-4-ylethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)purin-6-amine (PubChem CID 117085252) has the molecular formula C26H42N8O2 and a molecular weight of 498.68 g/mol. Its IUPAC name is 9-cyclohexyl-N-(2-morpholin-4-ylethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)purin-6-amine.

Molecular Properties

Compound Name9-cyclohexyl-N-(2-morpholin-4-ylethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)purin-6-amine
PubChem CID117085252
Molecular FormulaC26H42N8O2
Molecular Weight498.68 g/mol
Exact Mass498.34
IUPAC Name9-cyclohexyl-N-(2-morpholin-4-ylethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)purin-6-amine
SMILESc1nc2c(NCCN3CCOCC3)nc(N3CCC(N4CCOCC4)CC3)nc2n1C1CCCCC1
InChIInChI=1S/C26H42N8O2/c1-2-4-22(5-3-1)34-20-28-23-24(27-8-11-31-12-16-35-17-13-31)29-26(30-25(23)34)33-9-6-21(7-10-33)32-14-18-36-19-15-32/h20-22H,1-19H2,(H,27,29,30)
InChIKeyPRJAFIIVYGYXOG-UHFFFAOYSA-N
XLogP2.38
TPSA83.81 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.68
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 9-cyclohexyl-N-(2-morpholin-4-ylethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)purin-6-amine with MolForge

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Related Compounds

9-cyclohexyl-2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)purin-6-amine
CID 117084130
9-cyclohexyl-2-N-(2-morpholin-4-ylethyl)-6-N-(4-morpholin-4-ylphenyl)purine-2,6-diamine
CID 117092719
1-[2-[6-[2-(4-hydroxyphenyl)ethylamino]-2-(4-morpholin-4-ylpiperidin-1-yl)purin-9-yl]ethyl]pyrrolidin-2-one
CID 117079092
9-cyclopentyl-N-[[4-(furan-3-yl)phenyl]methyl]-2-morpholin-4-ylpurin-6-amine
CID 90333026
N-[2-(4-morpholin-4-ylpiperidin-1-yl)-9-phenylpurin-6-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 117085150
N-(1H-benzimidazol-2-ylmethyl)-9-cyclopentyl-2-morpholin-4-ylpurin-6-amine
CID 50930765
2-chloro-9-cyclopentyl-N-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]purin-6-amine
CID 18001854
4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
CID 162424586
2-[4-[1-[6-[(4-chloro-3-fluorophenyl)methylamino]-9-cyclopentylpurin-2-yl]piperidin-4-yl]piperidin-1-yl]ethanol
CID 171391391
2-[[2-(4-morpholin-4-ylpiperidin-1-yl)-7H-purin-6-yl]amino]ethanol
CID 117094178
9-cyclohexyl-2-(6-morpholin-4-yl-3-pyridinyl)-N-(2-phenoxyethyl)purin-6-amine
CID 117089841
6-N-(2-morpholin-4-ylethyl)-9-propan-2-yl-2-N-pyrimidin-2-ylpurine-2,6-diamine
CID 117091753

Frequently Asked Questions

What is the IUPAC name of 9-cyclohexyl-N-(2-morpholin-4-ylethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)purin-6-amine?
The IUPAC name of 9-cyclohexyl-N-(2-morpholin-4-ylethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)purin-6-amine (CID 117085252) is 9-cyclohexyl-N-(2-morpholin-4-ylethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)purin-6-amine.
What is the SMILES notation for 9-cyclohexyl-N-(2-morpholin-4-ylethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)purin-6-amine?
The canonical SMILES for 9-cyclohexyl-N-(2-morpholin-4-ylethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)purin-6-amine is c1nc2c(NCCN3CCOCC3)nc(N3CCC(N4CCOCC4)CC3)nc2n1C1CCCCC1.
What is the InChIKey of 9-cyclohexyl-N-(2-morpholin-4-ylethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)purin-6-amine?
The InChIKey is PRJAFIIVYGYXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42N8O2/c1-2-4-22(5-3-1)34-20-28-23-24(27-8-11-31-12-16-35-17-13-31)29-26(30-25(23)34)33-9-6-21(7-10-33)32-14-18-36-19-15-32/h20-22H,1-19H2,(H,27,29,30).
What are the key properties of 9-cyclohexyl-N-(2-morpholin-4-ylethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)purin-6-amine?
9-cyclohexyl-N-(2-morpholin-4-ylethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)purin-6-amine has a molecular weight of 498.68 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclohexyl-N-(2-morpholin-4-ylethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)purin-6-amine is sourced from PubChem (CID 117085252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).