9-[2-[methyl(7H-purin-6-yl)amino]acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one

C15H19N7O3 — CID 136534664

IUPAC9-[2-[methyl(7H-purin-6-yl)amino]acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCN(CC(=O)N1CCCC2(CNC(=O)O2)C1)c1ncnc2nc[nH]c12
InChIInChI=1S/C15H19N7O3/c1-21(13-11-12(18-8-17-11)19-9-20-13)5-10(23)22-4-2-3-15(7-22)6-16-14(24)25-15/h8-9H,2-7H2,1H3,(H,16,24)(H,17,18,19,20)
InChIKeyHSWQYQGALONZCZ-UHFFFAOYSA-N
MW345.36 g/mol
LogP-0.11
Rot. Bonds3

About 9-[2-[methyl(7H-purin-6-yl)amino]acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one

9-[2-[methyl(7H-purin-6-yl)amino]acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one (PubChem CID 136534664) has the molecular formula C15H19N7O3 and a molecular weight of 345.36 g/mol. Its IUPAC name is 9-[2-[methyl(7H-purin-6-yl)amino]acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name9-[2-[methyl(7H-purin-6-yl)amino]acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
PubChem CID136534664
Molecular FormulaC15H19N7O3
Molecular Weight345.36 g/mol
Exact Mass345.15
IUPAC Name9-[2-[methyl(7H-purin-6-yl)amino]acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCN(CC(=O)N1CCCC2(CNC(=O)O2)C1)c1ncnc2nc[nH]c12
InChIInChI=1S/C15H19N7O3/c1-21(13-11-12(18-8-17-11)19-9-20-13)5-10(23)22-4-2-3-15(7-22)6-16-14(24)25-15/h8-9H,2-7H2,1H3,(H,16,24)(H,17,18,19,20)
InChIKeyHSWQYQGALONZCZ-UHFFFAOYSA-N
XLogP-0.11
TPSA116.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 9-[2-[methyl(7H-purin-6-yl)amino]acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of 9-[2-[methyl(7H-purin-6-yl)amino]acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one (CID 136534664) is 9-[2-[methyl(7H-purin-6-yl)amino]acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 9-[2-[methyl(7H-purin-6-yl)amino]acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 9-[2-[methyl(7H-purin-6-yl)amino]acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one is CN(CC(=O)N1CCCC2(CNC(=O)O2)C1)c1ncnc2nc[nH]c12.
What is the InChIKey of 9-[2-[methyl(7H-purin-6-yl)amino]acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The InChIKey is HSWQYQGALONZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7O3/c1-21(13-11-12(18-8-17-11)19-9-20-13)5-10(23)22-4-2-3-15(7-22)6-16-14(24)25-15/h8-9H,2-7H2,1H3,(H,16,24)(H,17,18,19,20).
What are the key properties of 9-[2-[methyl(7H-purin-6-yl)amino]acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
9-[2-[methyl(7H-purin-6-yl)amino]acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one has a molecular weight of 345.36 g/mol, XLogP of -0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[methyl(7H-purin-6-yl)amino]acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 136534664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).