6-N-(2-phenoxyethyl)-2-N-phenyl-9-propan-2-ylpurine-2,6-diamine

C22H24N6O — CID 117083902

IUPAC6-N-(2-phenoxyethyl)-2-N-phenyl-9-propan-2-ylpurine-2,6-diamine
SMILESCC(C)n1cnc2c(NCCOc3ccccc3)nc(Nc3ccccc3)nc21
InChIInChI=1S/C22H24N6O/c1-16(2)28-15-24-19-20(23-13-14-29-18-11-7-4-8-12-18)26-22(27-21(19)28)25-17-9-5-3-6-10-17/h3-12,15-16H,13-14H2,1-2H3,(H2,23,25,26,27)
InChIKeyGBORUHGDKGRXGV-UHFFFAOYSA-N
MW388.48 g/mol
LogP4.64
Rot. Bonds8

About 6-N-(2-phenoxyethyl)-2-N-phenyl-9-propan-2-ylpurine-2,6-diamine

6-N-(2-phenoxyethyl)-2-N-phenyl-9-propan-2-ylpurine-2,6-diamine (PubChem CID 117083902) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 6-N-(2-phenoxyethyl)-2-N-phenyl-9-propan-2-ylpurine-2,6-diamine.

Molecular Properties

Compound Name6-N-(2-phenoxyethyl)-2-N-phenyl-9-propan-2-ylpurine-2,6-diamine
PubChem CID117083902
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name6-N-(2-phenoxyethyl)-2-N-phenyl-9-propan-2-ylpurine-2,6-diamine
SMILESCC(C)n1cnc2c(NCCOc3ccccc3)nc(Nc3ccccc3)nc21
InChIInChI=1S/C22H24N6O/c1-16(2)28-15-24-19-20(23-13-14-29-18-11-7-4-8-12-18)26-22(27-21(19)28)25-17-9-5-3-6-10-17/h3-12,15-16H,13-14H2,1-2H3,(H2,23,25,26,27)
InChIKeyGBORUHGDKGRXGV-UHFFFAOYSA-N
XLogP4.64
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-N-(1-methylbenzimidazol-2-yl)-6-N-(2-phenoxyethyl)-9-propan-2-ylpurine-2,6-diamine
CID 117085779
6-N-benzyl-2-N-(4-methoxyphenyl)-9-propan-2-ylpurine-2,6-diamine
CID 21051794
2-N-ethyl-6-N-phenyl-9-propan-2-ylpurine-2,6-diamine
CID 117086621
6-N-cyclopropyl-2-N-phenyl-9-propan-2-ylpurine-2,6-diamine
CID 117080255
6-N-(2-phenoxyethyl)-9-phenyl-2-N-[4-(trifluoromethyl)phenyl]purine-2,6-diamine
CID 117088420
9-propan-2-yl-6-N-propyl-2-N-[4-(trifluoromethyl)phenyl]purine-2,6-diamine
CID 117080663
6-N-(2-phenoxyethyl)-2-N-phenyl-9-[[4-(trifluoromethyl)phenyl]methyl]purine-2,6-diamine
CID 117086459
2-N-(1-methylbenzimidazol-2-yl)-6-N-(2-phenoxyethyl)-9-phenylpurine-2,6-diamine
CID 117085459
2-N-(4-morpholin-4-ylphenyl)-6-N-(2-phenoxyethyl)-9-phenylpurine-2,6-diamine
CID 117089790
2-[(6-anilino-9-propan-2-ylpurin-2-yl)amino]-3-methylbutan-1-ol
CID 23393285
6-N-(4-morpholin-4-ylphenyl)-2-N-phenyl-9-propan-2-ylpurine-2,6-diamine
CID 117082186
6-N-[2-[di(propan-2-yl)amino]ethyl]-9-propan-2-yl-2-N-[4-(trifluoromethyl)phenyl]purine-2,6-diamine
CID 117079588

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-phenoxyethyl)-2-N-phenyl-9-propan-2-ylpurine-2,6-diamine?
The IUPAC name of 6-N-(2-phenoxyethyl)-2-N-phenyl-9-propan-2-ylpurine-2,6-diamine (CID 117083902) is 6-N-(2-phenoxyethyl)-2-N-phenyl-9-propan-2-ylpurine-2,6-diamine.
What is the SMILES notation for 6-N-(2-phenoxyethyl)-2-N-phenyl-9-propan-2-ylpurine-2,6-diamine?
The canonical SMILES for 6-N-(2-phenoxyethyl)-2-N-phenyl-9-propan-2-ylpurine-2,6-diamine is CC(C)n1cnc2c(NCCOc3ccccc3)nc(Nc3ccccc3)nc21.
What is the InChIKey of 6-N-(2-phenoxyethyl)-2-N-phenyl-9-propan-2-ylpurine-2,6-diamine?
The InChIKey is GBORUHGDKGRXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-16(2)28-15-24-19-20(23-13-14-29-18-11-7-4-8-12-18)26-22(27-21(19)28)25-17-9-5-3-6-10-17/h3-12,15-16H,13-14H2,1-2H3,(H2,23,25,26,27).
What are the key properties of 6-N-(2-phenoxyethyl)-2-N-phenyl-9-propan-2-ylpurine-2,6-diamine?
6-N-(2-phenoxyethyl)-2-N-phenyl-9-propan-2-ylpurine-2,6-diamine has a molecular weight of 388.48 g/mol, XLogP of 4.64, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-phenoxyethyl)-2-N-phenyl-9-propan-2-ylpurine-2,6-diamine is sourced from PubChem (CID 117083902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).