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

C21H33N7O2 — CID 117084130

IUPAC9-cyclohexyl-2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)purin-6-amine
SMILESc1nc2c(NCCN3CCOCC3)nc(N3CCOCC3)nc2n1C1CCCCC1
InChIInChI=1S/C21H33N7O2/c1-2-4-17(5-3-1)28-16-23-18-19(22-6-7-26-8-12-29-13-9-26)24-21(25-20(18)28)27-10-14-30-15-11-27/h16-17H,1-15H2,(H,22,24,25)
InChIKeyFFNHSBHDIGLBAD-UHFFFAOYSA-N
MW415.54 g/mol
LogP1.91
Rot. Bonds6

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

9-cyclohexyl-2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)purin-6-amine (PubChem CID 117084130) has the molecular formula C21H33N7O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 9-cyclohexyl-2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)purin-6-amine.

Molecular Properties

Compound Name9-cyclohexyl-2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)purin-6-amine
PubChem CID117084130
Molecular FormulaC21H33N7O2
Molecular Weight415.54 g/mol
Exact Mass415.27
IUPAC Name9-cyclohexyl-2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)purin-6-amine
SMILESc1nc2c(NCCN3CCOCC3)nc(N3CCOCC3)nc2n1C1CCCCC1
InChIInChI=1S/C21H33N7O2/c1-2-4-17(5-3-1)28-16-23-18-19(22-6-7-26-8-12-29-13-9-26)24-21(25-20(18)28)27-10-14-30-15-11-27/h16-17H,1-15H2,(H,22,24,25)
InChIKeyFFNHSBHDIGLBAD-UHFFFAOYSA-N
XLogP1.91
TPSA80.57 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

9-cyclohexyl-N-(2-morpholin-4-ylethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)purin-6-amine
CID 117085252
9-cyclohexyl-2-N-(2-morpholin-4-ylethyl)-6-N-(4-morpholin-4-ylphenyl)purine-2,6-diamine
CID 117092719
9-cyclopentyl-N-[[4-(furan-3-yl)phenyl]methyl]-2-morpholin-4-ylpurin-6-amine
CID 90333026
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
9-cyclohexyl-2-(6-morpholin-4-yl-3-pyridinyl)-N-(2-phenoxyethyl)purin-6-amine
CID 117089841
2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-7H-purin-6-amine
CID 117081727
3-(6-hydrazinyl-2-morpholin-4-ylpurin-9-yl)-N,N-dimethylazetidine-1-carboxamide
CID 170775454
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
N-(1H-benzimidazol-2-ylmethyl)-2-morpholin-4-yl-9-(2-morpholin-4-ylethyl)purin-6-amine
CID 50930759
9-cyclohexyl-N-(4-morpholin-4-ylphenyl)-2-phenylpurin-6-amine
CID 117085834

Frequently Asked Questions

What is the IUPAC name of 9-cyclohexyl-2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)purin-6-amine?
The IUPAC name of 9-cyclohexyl-2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)purin-6-amine (CID 117084130) is 9-cyclohexyl-2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)purin-6-amine.
What is the SMILES notation for 9-cyclohexyl-2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)purin-6-amine?
The canonical SMILES for 9-cyclohexyl-2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)purin-6-amine is c1nc2c(NCCN3CCOCC3)nc(N3CCOCC3)nc2n1C1CCCCC1.
What is the InChIKey of 9-cyclohexyl-2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)purin-6-amine?
The InChIKey is FFNHSBHDIGLBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N7O2/c1-2-4-17(5-3-1)28-16-23-18-19(22-6-7-26-8-12-29-13-9-26)24-21(25-20(18)28)27-10-14-30-15-11-27/h16-17H,1-15H2,(H,22,24,25).
What are the key properties of 9-cyclohexyl-2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)purin-6-amine?
9-cyclohexyl-2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)purin-6-amine has a molecular weight of 415.54 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclohexyl-2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)purin-6-amine is sourced from PubChem (CID 117084130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).