6-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-9-methylpurine

C17H21N7O — CID 163350567

IUPAC6-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-9-methylpurine
SMILESCc1cnc(C)c(OC2CCN(c3ncnc4c3ncn4C)CC2)n1
InChIInChI=1S/C17H21N7O/c1-11-8-18-12(2)17(22-11)25-13-4-6-24(7-5-13)16-14-15(19-9-20-16)23(3)10-21-14/h8-10,13H,4-7H2,1-3H3
InChIKeyCWLDWEHCOBEOHC-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.82
Rot. Bonds3

About 6-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-9-methylpurine

6-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-9-methylpurine (PubChem CID 163350567) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is 6-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-9-methylpurine.

Molecular Properties

Compound Name6-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-9-methylpurine
PubChem CID163350567
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name6-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-9-methylpurine
SMILESCc1cnc(C)c(OC2CCN(c3ncnc4c3ncn4C)CC2)n1
InChIInChI=1S/C17H21N7O/c1-11-8-18-12(2)17(22-11)25-13-4-6-24(7-5-13)16-14-15(19-9-20-16)23(3)10-21-14/h8-10,13H,4-7H2,1-3H3
InChIKeyCWLDWEHCOBEOHC-UHFFFAOYSA-N
XLogP1.82
TPSA81.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-9-methylpurine?
The IUPAC name of 6-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-9-methylpurine (CID 163350567) is 6-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-9-methylpurine.
What is the SMILES notation for 6-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-9-methylpurine?
The canonical SMILES for 6-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-9-methylpurine is Cc1cnc(C)c(OC2CCN(c3ncnc4c3ncn4C)CC2)n1.
What is the InChIKey of 6-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-9-methylpurine?
The InChIKey is CWLDWEHCOBEOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O/c1-11-8-18-12(2)17(22-11)25-13-4-6-24(7-5-13)16-14-15(19-9-20-16)23(3)10-21-14/h8-10,13H,4-7H2,1-3H3.
What are the key properties of 6-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-9-methylpurine?
6-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-9-methylpurine has a molecular weight of 339.40 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-9-methylpurine is sourced from PubChem (CID 163350567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).