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

C28H27N7O2 — CID 117082236

IUPAC2-(6-morpholin-4-yl-3-pyridinyl)-N-(2-phenoxyethyl)-9-phenylpurin-6-amine
SMILESc1ccc(OCCNc2nc(-c3ccc(N4CCOCC4)nc3)nc3c2ncn3-c2ccccc2)cc1
InChIInChI=1S/C28H27N7O2/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/h1-12,19-20H,13-18H2,(H,29,32,33)
InChIKeyMPBRKECGKOXREW-UHFFFAOYSA-N
MW493.57 g/mol
LogP4.20
Rot. Bonds8

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

2-(6-morpholin-4-yl-3-pyridinyl)-N-(2-phenoxyethyl)-9-phenylpurin-6-amine (PubChem CID 117082236) has the molecular formula C28H27N7O2 and a molecular weight of 493.57 g/mol. Its IUPAC name is 2-(6-morpholin-4-yl-3-pyridinyl)-N-(2-phenoxyethyl)-9-phenylpurin-6-amine.

Molecular Properties

Compound Name2-(6-morpholin-4-yl-3-pyridinyl)-N-(2-phenoxyethyl)-9-phenylpurin-6-amine
PubChem CID117082236
Molecular FormulaC28H27N7O2
Molecular Weight493.57 g/mol
Exact Mass493.22
IUPAC Name2-(6-morpholin-4-yl-3-pyridinyl)-N-(2-phenoxyethyl)-9-phenylpurin-6-amine
SMILESc1ccc(OCCNc2nc(-c3ccc(N4CCOCC4)nc3)nc3c2ncn3-c2ccccc2)cc1
InChIInChI=1S/C28H27N7O2/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/h1-12,19-20H,13-18H2,(H,29,32,33)
InChIKeyMPBRKECGKOXREW-UHFFFAOYSA-N
XLogP4.20
TPSA90.22 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.57
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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

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Related Compounds

2-[[2-(6-morpholin-4-yl-3-pyridinyl)-9-phenylpurin-6-yl]amino]ethanol
CID 117081487
9-cyclohexyl-2-(6-morpholin-4-yl-3-pyridinyl)-N-(2-phenoxyethyl)purin-6-amine
CID 117089841
2-(6-morpholin-4-yl-3-pyridinyl)-N-(2-phenoxyethyl)-9-[[4-(trifluoromethyl)phenyl]methyl]purin-6-amine
CID 117082690
2-N-(4-morpholin-4-ylphenyl)-6-N-(2-phenoxyethyl)-9-phenylpurine-2,6-diamine
CID 117089790
N-(2-phenoxyethyl)-9-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)purin-6-amine
CID 117084685
N-[2-(4-methoxyphenyl)ethyl]-2-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-amine
CID 117082898
N-(4-morpholin-4-ylphenyl)-2,9-diphenylpurin-6-amine
CID 117081365
N-(2-morpholin-4-ylethyl)-2-phenyl-9-thiophen-3-ylpurin-6-amine
CID 117089203
5-(6-morpholin-4-yl-3-pyridinyl)-N-(2-phenoxyethyl)thiophene-2-carboxamide
CID 117093443
[1-[6-(2-phenoxyethylamino)-9-phenylpurin-2-yl]pyrrolidin-2-yl]methanol
CID 117085845
N-[2-(6-methoxy-3-pyridinyl)-9-phenylpurin-6-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 117080808
4-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-pyridinyl]morpholine
CID 58507795

Frequently Asked Questions

What is the IUPAC name of 2-(6-morpholin-4-yl-3-pyridinyl)-N-(2-phenoxyethyl)-9-phenylpurin-6-amine?
The IUPAC name of 2-(6-morpholin-4-yl-3-pyridinyl)-N-(2-phenoxyethyl)-9-phenylpurin-6-amine (CID 117082236) is 2-(6-morpholin-4-yl-3-pyridinyl)-N-(2-phenoxyethyl)-9-phenylpurin-6-amine.
What is the SMILES notation for 2-(6-morpholin-4-yl-3-pyridinyl)-N-(2-phenoxyethyl)-9-phenylpurin-6-amine?
The canonical SMILES for 2-(6-morpholin-4-yl-3-pyridinyl)-N-(2-phenoxyethyl)-9-phenylpurin-6-amine is c1ccc(OCCNc2nc(-c3ccc(N4CCOCC4)nc3)nc3c2ncn3-c2ccccc2)cc1.
What is the InChIKey of 2-(6-morpholin-4-yl-3-pyridinyl)-N-(2-phenoxyethyl)-9-phenylpurin-6-amine?
The InChIKey is MPBRKECGKOXREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N7O2/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/h1-12,19-20H,13-18H2,(H,29,32,33).
What are the key properties of 2-(6-morpholin-4-yl-3-pyridinyl)-N-(2-phenoxyethyl)-9-phenylpurin-6-amine?
2-(6-morpholin-4-yl-3-pyridinyl)-N-(2-phenoxyethyl)-9-phenylpurin-6-amine has a molecular weight of 493.57 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-morpholin-4-yl-3-pyridinyl)-N-(2-phenoxyethyl)-9-phenylpurin-6-amine is sourced from PubChem (CID 117082236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).