6-amino-2-(2-methoxyethoxy)-9-(2-piperidin-4-ylethyl)-7H-purin-8-one

C15H24N6O3 — CID 143428583

IUPAC6-amino-2-(2-methoxyethoxy)-9-(2-piperidin-4-ylethyl)-7H-purin-8-one
SMILESCOCCOc1nc(N)c2[nH]c(=O)n(CCC3CCNCC3)c2n1
InChIInChI=1S/C15H24N6O3/c1-23-8-9-24-14-19-12(16)11-13(20-14)21(15(22)18-11)7-4-10-2-5-17-6-3-10/h10,17H,2-9H2,1H3,(H,18,22)(H2,16,19,20)
InChIKeyITCICUBYOSHMJL-UHFFFAOYSA-N
MW336.40 g/mol
LogP0.12
Rot. Bonds7

About 6-amino-2-(2-methoxyethoxy)-9-(2-piperidin-4-ylethyl)-7H-purin-8-one

6-amino-2-(2-methoxyethoxy)-9-(2-piperidin-4-ylethyl)-7H-purin-8-one (PubChem CID 143428583) has the molecular formula C15H24N6O3 and a molecular weight of 336.40 g/mol. Its IUPAC name is 6-amino-2-(2-methoxyethoxy)-9-(2-piperidin-4-ylethyl)-7H-purin-8-one.

Molecular Properties

Compound Name6-amino-2-(2-methoxyethoxy)-9-(2-piperidin-4-ylethyl)-7H-purin-8-one
PubChem CID143428583
Molecular FormulaC15H24N6O3
Molecular Weight336.40 g/mol
Exact Mass336.19
IUPAC Name6-amino-2-(2-methoxyethoxy)-9-(2-piperidin-4-ylethyl)-7H-purin-8-one
SMILESCOCCOc1nc(N)c2[nH]c(=O)n(CCC3CCNCC3)c2n1
InChIInChI=1S/C15H24N6O3/c1-23-8-9-24-14-19-12(16)11-13(20-14)21(15(22)18-11)7-4-10-2-5-17-6-3-10/h10,17H,2-9H2,1H3,(H,18,22)(H2,16,19,20)
InChIKeyITCICUBYOSHMJL-UHFFFAOYSA-N
XLogP0.12
TPSA120.08 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

6-amino-2-butoxy-9-(4-piperidin-4-ylbutyl)-7H-purin-8-one
CID 67181623
6-amino-2-butoxy-9-(piperidin-4-ylmethyl)-7H-purin-8-one;hydrochloride
CID 67607123
6-amino-2-(2-cyclopropylethoxy)-9-[2-(oxolan-3-yl)ethyl]-7H-purin-8-one
CID 25026355
2-butoxy-6-(methylamino)-9-(2-piperidin-4-ylethyl)-7H-purin-8-one
CID 129302037
6-amino-2-butoxy-9-[2-[1-(2-cyclohexylethyl)piperidin-3-yl]ethyl]-7H-purin-8-one
CID 67233837
6-amino-2-butoxy-9-[3-(1-butylpiperidin-4-yl)propyl]-7H-purin-8-one
CID 67233137
6-amino-9-[[3-(1,4-diazepan-1-ylmethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one
CID 25172452
methyl (3E,5E)-5-[[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]methyl]-3-methylhepta-3,5-dienoate
CID 142878316
6-amino-2-butoxy-9-[4-[1-(cyclopentylmethyl)piperidin-3-yl]butyl]-7H-purin-8-one
CID 67183581
6-amino-2-butoxy-9-[4-(methylamino)butyl]-7H-purin-8-one
CID 143113056
6-amino-2-butoxy-9-[4-[1-(2-hydroxyethyl)piperidin-3-yl]butyl]-7H-purin-8-one
CID 53355055
6-amino-9-[[3-(hydroxymethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;ethane
CID 143605693

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(2-methoxyethoxy)-9-(2-piperidin-4-ylethyl)-7H-purin-8-one?
The IUPAC name of 6-amino-2-(2-methoxyethoxy)-9-(2-piperidin-4-ylethyl)-7H-purin-8-one (CID 143428583) is 6-amino-2-(2-methoxyethoxy)-9-(2-piperidin-4-ylethyl)-7H-purin-8-one.
What is the SMILES notation for 6-amino-2-(2-methoxyethoxy)-9-(2-piperidin-4-ylethyl)-7H-purin-8-one?
The canonical SMILES for 6-amino-2-(2-methoxyethoxy)-9-(2-piperidin-4-ylethyl)-7H-purin-8-one is COCCOc1nc(N)c2[nH]c(=O)n(CCC3CCNCC3)c2n1.
What is the InChIKey of 6-amino-2-(2-methoxyethoxy)-9-(2-piperidin-4-ylethyl)-7H-purin-8-one?
The InChIKey is ITCICUBYOSHMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O3/c1-23-8-9-24-14-19-12(16)11-13(20-14)21(15(22)18-11)7-4-10-2-5-17-6-3-10/h10,17H,2-9H2,1H3,(H,18,22)(H2,16,19,20).
What are the key properties of 6-amino-2-(2-methoxyethoxy)-9-(2-piperidin-4-ylethyl)-7H-purin-8-one?
6-amino-2-(2-methoxyethoxy)-9-(2-piperidin-4-ylethyl)-7H-purin-8-one has a molecular weight of 336.40 g/mol, XLogP of 0.12, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(2-methoxyethoxy)-9-(2-piperidin-4-ylethyl)-7H-purin-8-one is sourced from PubChem (CID 143428583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).