9-benzyl-2-butoxy-8-(ethoxymethyl)purin-6-amine

C19H25N5O2 — CID 118517991

IUPAC9-benzyl-2-butoxy-8-(ethoxymethyl)purin-6-amine
SMILESCCCCOc1nc(N)c2nc(COCC)n(Cc3ccccc3)c2n1
InChIInChI=1S/C19H25N5O2/c1-3-5-11-26-19-22-17(20)16-18(23-19)24(15(21-16)13-25-4-2)12-14-9-7-6-8-10-14/h6-10H,3-5,11-13H2,1-2H3,(H2,20,22,23)
InChIKeyVEDKFJBZPPUBEQ-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.17
Rot. Bonds9

About 9-benzyl-2-butoxy-8-(ethoxymethyl)purin-6-amine

9-benzyl-2-butoxy-8-(ethoxymethyl)purin-6-amine (PubChem CID 118517991) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 9-benzyl-2-butoxy-8-(ethoxymethyl)purin-6-amine.

Molecular Properties

Compound Name9-benzyl-2-butoxy-8-(ethoxymethyl)purin-6-amine
PubChem CID118517991
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name9-benzyl-2-butoxy-8-(ethoxymethyl)purin-6-amine
SMILESCCCCOc1nc(N)c2nc(COCC)n(Cc3ccccc3)c2n1
InChIInChI=1S/C19H25N5O2/c1-3-5-11-26-19-22-17(20)16-18(23-19)24(15(21-16)13-25-4-2)12-14-9-7-6-8-10-14/h6-10H,3-5,11-13H2,1-2H3,(H2,20,22,23)
InChIKeyVEDKFJBZPPUBEQ-UHFFFAOYSA-N
XLogP3.17
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

9-benzyl-2-butoxy-8-pyridin-2-ylpurin-6-amine
CID 138700991
9-benzyl-8-methoxy-2-pentoxypurin-6-amine
CID 11024299
8-bromo-2-butoxy-9-[(6-chloro-3-pyridinyl)methyl]purin-6-amine
CID 22928913
8-bromo-9-ethyl-2-(3-phenylpropoxy)purin-6-amine
CID 18440482
9-benzyl-2-(2-methoxyethoxy)-8-(methylideneamino)purin-6-amine
CID 71154032
[6-amino-2-butoxy-9-[(6-methyl-3-pyridinyl)methyl]purin-8-yl] benzoate
CID 22928887
2-butoxy-9-[(2,6-difluorophenyl)methyl]-8-methylpurin-6-amine
CID 68855168
2-butoxy-8-methoxy-9-[[4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]purin-6-amine
CID 58234481
9-benzyl-8-bromo-2-methoxypurin-6-amine
CID 11099680
2-[2-(6-amino-2-butoxy-8-methoxypurin-9-yl)ethyl]isoindole-1,3-dione
CID 58942876
6-amino-2-butoxy-9-(naphthalen-2-ylmethyl)-7H-purin-8-one
CID 22928916
3-(6-amino-9-benzylpurin-2-yl)oxypropan-1-ol
CID 18332714

Frequently Asked Questions

What is the IUPAC name of 9-benzyl-2-butoxy-8-(ethoxymethyl)purin-6-amine?
The IUPAC name of 9-benzyl-2-butoxy-8-(ethoxymethyl)purin-6-amine (CID 118517991) is 9-benzyl-2-butoxy-8-(ethoxymethyl)purin-6-amine.
What is the SMILES notation for 9-benzyl-2-butoxy-8-(ethoxymethyl)purin-6-amine?
The canonical SMILES for 9-benzyl-2-butoxy-8-(ethoxymethyl)purin-6-amine is CCCCOc1nc(N)c2nc(COCC)n(Cc3ccccc3)c2n1.
What is the InChIKey of 9-benzyl-2-butoxy-8-(ethoxymethyl)purin-6-amine?
The InChIKey is VEDKFJBZPPUBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-3-5-11-26-19-22-17(20)16-18(23-19)24(15(21-16)13-25-4-2)12-14-9-7-6-8-10-14/h6-10H,3-5,11-13H2,1-2H3,(H2,20,22,23).
What are the key properties of 9-benzyl-2-butoxy-8-(ethoxymethyl)purin-6-amine?
9-benzyl-2-butoxy-8-(ethoxymethyl)purin-6-amine has a molecular weight of 355.44 g/mol, XLogP of 3.17, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-2-butoxy-8-(ethoxymethyl)purin-6-amine is sourced from PubChem (CID 118517991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).