ethyl 2-[2-[(4-cyclohexylphenyl)methylamino]-6-morpholin-4-ylpurin-9-yl]acetate

C26H34N6O3 — CID 71770207

IUPACethyl 2-[2-[(4-cyclohexylphenyl)methylamino]-6-morpholin-4-ylpurin-9-yl]acetate
SMILESCCOC(=O)Cn1cnc2c(N3CCOCC3)nc(NCc3ccc(C4CCCCC4)cc3)nc21
InChIInChI=1S/C26H34N6O3/c1-2-35-22(33)17-32-18-28-23-24(31-12-14-34-15-13-31)29-26(30-25(23)32)27-16-19-8-10-21(11-9-19)20-6-4-3-5-7-20/h8-11,18,20H,2-7,12-17H2,1H3,(H,27,29,30)
InChIKeyGGAQJZYXSANBKF-UHFFFAOYSA-N
MW478.60 g/mol
LogP3.89
Rot. Bonds8

About ethyl 2-[2-[(4-cyclohexylphenyl)methylamino]-6-morpholin-4-ylpurin-9-yl]acetate

ethyl 2-[2-[(4-cyclohexylphenyl)methylamino]-6-morpholin-4-ylpurin-9-yl]acetate (PubChem CID 71770207) has the molecular formula C26H34N6O3 and a molecular weight of 478.60 g/mol. Its IUPAC name is ethyl 2-[2-[(4-cyclohexylphenyl)methylamino]-6-morpholin-4-ylpurin-9-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(4-cyclohexylphenyl)methylamino]-6-morpholin-4-ylpurin-9-yl]acetate
PubChem CID71770207
Molecular FormulaC26H34N6O3
Molecular Weight478.60 g/mol
Exact Mass478.27
IUPAC Nameethyl 2-[2-[(4-cyclohexylphenyl)methylamino]-6-morpholin-4-ylpurin-9-yl]acetate
SMILESCCOC(=O)Cn1cnc2c(N3CCOCC3)nc(NCc3ccc(C4CCCCC4)cc3)nc21
InChIInChI=1S/C26H34N6O3/c1-2-35-22(33)17-32-18-28-23-24(31-12-14-34-15-13-31)29-26(30-25(23)32)27-16-19-8-10-21(11-9-19)20-6-4-3-5-7-20/h8-11,18,20H,2-7,12-17H2,1H3,(H,27,29,30)
InChIKeyGGAQJZYXSANBKF-UHFFFAOYSA-N
XLogP3.89
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.60
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 2-[2-[(4-cyclohexylphenyl)methylamino]-6-morpholin-4-ylpurin-9-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(4-cyclohexylphenyl)methylamino]-6-morpholin-4-ylpurin-9-yl]acetate?
The IUPAC name of ethyl 2-[2-[(4-cyclohexylphenyl)methylamino]-6-morpholin-4-ylpurin-9-yl]acetate (CID 71770207) is ethyl 2-[2-[(4-cyclohexylphenyl)methylamino]-6-morpholin-4-ylpurin-9-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(4-cyclohexylphenyl)methylamino]-6-morpholin-4-ylpurin-9-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(4-cyclohexylphenyl)methylamino]-6-morpholin-4-ylpurin-9-yl]acetate is CCOC(=O)Cn1cnc2c(N3CCOCC3)nc(NCc3ccc(C4CCCCC4)cc3)nc21.
What is the InChIKey of ethyl 2-[2-[(4-cyclohexylphenyl)methylamino]-6-morpholin-4-ylpurin-9-yl]acetate?
The InChIKey is GGAQJZYXSANBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O3/c1-2-35-22(33)17-32-18-28-23-24(31-12-14-34-15-13-31)29-26(30-25(23)32)27-16-19-8-10-21(11-9-19)20-6-4-3-5-7-20/h8-11,18,20H,2-7,12-17H2,1H3,(H,27,29,30).
What are the key properties of ethyl 2-[2-[(4-cyclohexylphenyl)methylamino]-6-morpholin-4-ylpurin-9-yl]acetate?
ethyl 2-[2-[(4-cyclohexylphenyl)methylamino]-6-morpholin-4-ylpurin-9-yl]acetate has a molecular weight of 478.60 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(4-cyclohexylphenyl)methylamino]-6-morpholin-4-ylpurin-9-yl]acetate is sourced from PubChem (CID 71770207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).