N-(2-phenoxyethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-7H-purin-6-amine

C22H24N8O — CID 117080800

IUPACN-(2-phenoxyethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-7H-purin-6-amine
SMILESc1ccc(OCCNc2nc(N3CCN(c4ccccn4)CC3)nc3nc[nH]c23)cc1
InChIInChI=1S/C22H24N8O/c1-2-6-17(7-3-1)31-15-10-24-20-19-21(26-16-25-19)28-22(27-20)30-13-11-29(12-14-30)18-8-4-5-9-23-18/h1-9,16H,10-15H2,(H2,24,25,26,27,28)
InChIKeyRWFNPDBOHZMVLI-UHFFFAOYSA-N
MW416.49 g/mol
LogP2.57
Rot. Bonds7

About N-(2-phenoxyethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-7H-purin-6-amine

N-(2-phenoxyethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-7H-purin-6-amine (PubChem CID 117080800) has the molecular formula C22H24N8O and a molecular weight of 416.49 g/mol. Its IUPAC name is N-(2-phenoxyethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-7H-purin-6-amine.

Molecular Properties

Compound NameN-(2-phenoxyethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-7H-purin-6-amine
PubChem CID117080800
Molecular FormulaC22H24N8O
Molecular Weight416.49 g/mol
Exact Mass416.21
IUPAC NameN-(2-phenoxyethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-7H-purin-6-amine
SMILESc1ccc(OCCNc2nc(N3CCN(c4ccccn4)CC3)nc3nc[nH]c23)cc1
InChIInChI=1S/C22H24N8O/c1-2-6-17(7-3-1)31-15-10-24-20-19-21(26-16-25-19)28-22(27-20)30-13-11-29(12-14-30)18-8-4-5-9-23-18/h1-9,16H,10-15H2,(H2,24,25,26,27,28)
InChIKeyRWFNPDBOHZMVLI-UHFFFAOYSA-N
XLogP2.57
TPSA95.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-(2-phenoxyethyl)-9-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)purin-6-amine
CID 117084685
N-(2-phenoxyethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 117081146
2-(4-pyridin-2-ylpiperazin-1-yl)-7H-purin-6-amine
CID 117079664
6-(3-methylphenoxy)-2-(4-pyridin-2-ylpiperazin-1-yl)-7H-purine
CID 165412413
2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-7H-purin-6-yl]amino]ethanol
CID 117081323
2-N-(1,3-benzodioxol-5-ylmethyl)-6-N-(2-phenoxyethyl)-7H-purine-2,6-diamine
CID 117079140
N-(3-phenoxypropyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108883277
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenyl)ethyl]-7H-purin-6-amine
CID 117083517
N-[2-(4-methoxyphenyl)ethyl]-9-propan-2-yl-2-(4-pyridin-2-ylpiperazin-1-yl)purin-6-amine
CID 117092021
N-(2-methoxyethyl)-2-(4-phenylpiperazin-1-yl)pteridin-4-amine
CID 39336298
N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]aniline
CID 60860602
2-[[2-(4-morpholin-4-ylpiperidin-1-yl)-7H-purin-6-yl]amino]ethanol
CID 117094178

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-7H-purin-6-amine?
The IUPAC name of N-(2-phenoxyethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-7H-purin-6-amine (CID 117080800) is N-(2-phenoxyethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-7H-purin-6-amine.
What is the SMILES notation for N-(2-phenoxyethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-7H-purin-6-amine?
The canonical SMILES for N-(2-phenoxyethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-7H-purin-6-amine is c1ccc(OCCNc2nc(N3CCN(c4ccccn4)CC3)nc3nc[nH]c23)cc1.
What is the InChIKey of N-(2-phenoxyethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-7H-purin-6-amine?
The InChIKey is RWFNPDBOHZMVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O/c1-2-6-17(7-3-1)31-15-10-24-20-19-21(26-16-25-19)28-22(27-20)30-13-11-29(12-14-30)18-8-4-5-9-23-18/h1-9,16H,10-15H2,(H2,24,25,26,27,28).
What are the key properties of N-(2-phenoxyethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-7H-purin-6-amine?
N-(2-phenoxyethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-7H-purin-6-amine has a molecular weight of 416.49 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-7H-purin-6-amine is sourced from PubChem (CID 117080800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).