9-ethyl-N-[4-(ethylaminomethyl)phenyl]-8-pyridin-4-ylpurin-2-amine

C21H23N7 — CID 24745489

IUPAC9-ethyl-N-[4-(ethylaminomethyl)phenyl]-8-pyridin-4-ylpurin-2-amine
SMILESCCNCc1ccc(Nc2ncc3nc(-c4ccncc4)n(CC)c3n2)cc1
InChIInChI=1S/C21H23N7/c1-3-22-13-15-5-7-17(8-6-15)25-21-24-14-18-20(27-21)28(4-2)19(26-18)16-9-11-23-12-10-16/h5-12,14,22H,3-4,13H2,1-2H3,(H,24,25,27)
InChIKeyAGQPZCNJZAXRBB-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.76
Rot. Bonds7

About 9-ethyl-N-[4-(ethylaminomethyl)phenyl]-8-pyridin-4-ylpurin-2-amine

9-ethyl-N-[4-(ethylaminomethyl)phenyl]-8-pyridin-4-ylpurin-2-amine (PubChem CID 24745489) has the molecular formula C21H23N7 and a molecular weight of 373.46 g/mol. Its IUPAC name is 9-ethyl-N-[4-(ethylaminomethyl)phenyl]-8-pyridin-4-ylpurin-2-amine.

Molecular Properties

Compound Name9-ethyl-N-[4-(ethylaminomethyl)phenyl]-8-pyridin-4-ylpurin-2-amine
PubChem CID24745489
Molecular FormulaC21H23N7
Molecular Weight373.46 g/mol
Exact Mass373.20
IUPAC Name9-ethyl-N-[4-(ethylaminomethyl)phenyl]-8-pyridin-4-ylpurin-2-amine
SMILESCCNCc1ccc(Nc2ncc3nc(-c4ccncc4)n(CC)c3n2)cc1
InChIInChI=1S/C21H23N7/c1-3-22-13-15-5-7-17(8-6-15)25-21-24-14-18-20(27-21)28(4-2)19(26-18)16-9-11-23-12-10-16/h5-12,14,22H,3-4,13H2,1-2H3,(H,24,25,27)
InChIKeyAGQPZCNJZAXRBB-UHFFFAOYSA-N
XLogP3.76
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[4-[(9-methyl-8-pyridin-4-ylpurin-2-yl)amino]phenyl]pentan-2-one
CID 58442007
9-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-8-pyridin-4-ylpurin-2-amine
CID 58441986
9-methyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-8-pyridin-4-ylpurin-2-amine
CID 24745635
9-[(2,4-dimethoxyphenyl)methyl]-N-(4-fluorophenyl)-8-pyridin-4-ylpurin-2-amine
CID 58441997
4-[3-[(9-methyl-8-pyridin-4-ylpurin-2-yl)amino]phenyl]butan-2-one
CID 58441921
8-(2-aminopyrimidin-4-yl)-N-(3,5-dimethylphenyl)-9-ethylpurin-2-amine
CID 24745640
2-N-(4-propylphenyl)-5-N-pyridin-4-ylpyrimidine-2,5-diamine
CID 166471236
molecular hydrogen;N-(pyridin-4-ylmethyl)ethanamine
CID 145190725
8-(2-aminopyrimidin-4-yl)-N-(2,6-difluorophenyl)-9-ethylpurin-2-amine
CID 58441951
8-(2-amino-4-pyridinyl)-N-(4-fluorophenyl)-9-methylpurin-2-amine
CID 58441916
N-[[4-(5-methylpyrimidin-2-yl)sulfanylphenyl]methyl]ethanamine
CID 55239647
3-ethyl-5-methyl-2-pyridin-4-ylimidazo[4,5-d]pyridazin-4-one
CID 71038728

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-N-[4-(ethylaminomethyl)phenyl]-8-pyridin-4-ylpurin-2-amine?
The IUPAC name of 9-ethyl-N-[4-(ethylaminomethyl)phenyl]-8-pyridin-4-ylpurin-2-amine (CID 24745489) is 9-ethyl-N-[4-(ethylaminomethyl)phenyl]-8-pyridin-4-ylpurin-2-amine.
What is the SMILES notation for 9-ethyl-N-[4-(ethylaminomethyl)phenyl]-8-pyridin-4-ylpurin-2-amine?
The canonical SMILES for 9-ethyl-N-[4-(ethylaminomethyl)phenyl]-8-pyridin-4-ylpurin-2-amine is CCNCc1ccc(Nc2ncc3nc(-c4ccncc4)n(CC)c3n2)cc1.
What is the InChIKey of 9-ethyl-N-[4-(ethylaminomethyl)phenyl]-8-pyridin-4-ylpurin-2-amine?
The InChIKey is AGQPZCNJZAXRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7/c1-3-22-13-15-5-7-17(8-6-15)25-21-24-14-18-20(27-21)28(4-2)19(26-18)16-9-11-23-12-10-16/h5-12,14,22H,3-4,13H2,1-2H3,(H,24,25,27).
What are the key properties of 9-ethyl-N-[4-(ethylaminomethyl)phenyl]-8-pyridin-4-ylpurin-2-amine?
9-ethyl-N-[4-(ethylaminomethyl)phenyl]-8-pyridin-4-ylpurin-2-amine has a molecular weight of 373.46 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-N-[4-(ethylaminomethyl)phenyl]-8-pyridin-4-ylpurin-2-amine is sourced from PubChem (CID 24745489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).