9-[[10-(methoxymethyl)pyrazino[2,3-b][1,4]benzothiazin-8-yl]methyl]-N,N-dimethylpurin-6-amine

C20H20N8OS — CID 23565005

IUPAC9-[[10-(methoxymethyl)pyrazino[2,3-b][1,4]benzothiazin-8-yl]methyl]-N,N-dimethylpurin-6-amine
SMILESCOCN1c2cc(Cn3cnc4c(N(C)C)ncnc43)ccc2Sc2nccnc21
InChIInChI=1S/C20H20N8OS/c1-26(2)17-16-18(24-10-23-17)27(11-25-16)9-13-4-5-15-14(8-13)28(12-29-3)19-20(30-15)22-7-6-21-19/h4-8,10-11H,9,12H2,1-3H3
InChIKeyUQUIUHMCWRIYAP-UHFFFAOYSA-N
MW420.50 g/mol
LogP2.94
Rot. Bonds5

About 9-[[10-(methoxymethyl)pyrazino[2,3-b][1,4]benzothiazin-8-yl]methyl]-N,N-dimethylpurin-6-amine

9-[[10-(methoxymethyl)pyrazino[2,3-b][1,4]benzothiazin-8-yl]methyl]-N,N-dimethylpurin-6-amine (PubChem CID 23565005) has the molecular formula C20H20N8OS and a molecular weight of 420.50 g/mol. Its IUPAC name is 9-[[10-(methoxymethyl)pyrazino[2,3-b][1,4]benzothiazin-8-yl]methyl]-N,N-dimethylpurin-6-amine.

Molecular Properties

Compound Name9-[[10-(methoxymethyl)pyrazino[2,3-b][1,4]benzothiazin-8-yl]methyl]-N,N-dimethylpurin-6-amine
PubChem CID23565005
Molecular FormulaC20H20N8OS
Molecular Weight420.50 g/mol
Exact Mass420.15
IUPAC Name9-[[10-(methoxymethyl)pyrazino[2,3-b][1,4]benzothiazin-8-yl]methyl]-N,N-dimethylpurin-6-amine
SMILESCOCN1c2cc(Cn3cnc4c(N(C)C)ncnc43)ccc2Sc2nccnc21
InChIInChI=1S/C20H20N8OS/c1-26(2)17-16-18(24-10-23-17)27(11-25-16)9-13-4-5-15-14(8-13)28(12-29-3)19-20(30-15)22-7-6-21-19/h4-8,10-11H,9,12H2,1-3H3
InChIKeyUQUIUHMCWRIYAP-UHFFFAOYSA-N
XLogP2.94
TPSA85.09 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.50
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 9-[[10-(methoxymethyl)pyrazino[2,3-b][1,4]benzothiazin-8-yl]methyl]-N,N-dimethylpurin-6-amine?
The IUPAC name of 9-[[10-(methoxymethyl)pyrazino[2,3-b][1,4]benzothiazin-8-yl]methyl]-N,N-dimethylpurin-6-amine (CID 23565005) is 9-[[10-(methoxymethyl)pyrazino[2,3-b][1,4]benzothiazin-8-yl]methyl]-N,N-dimethylpurin-6-amine.
What is the SMILES notation for 9-[[10-(methoxymethyl)pyrazino[2,3-b][1,4]benzothiazin-8-yl]methyl]-N,N-dimethylpurin-6-amine?
The canonical SMILES for 9-[[10-(methoxymethyl)pyrazino[2,3-b][1,4]benzothiazin-8-yl]methyl]-N,N-dimethylpurin-6-amine is COCN1c2cc(Cn3cnc4c(N(C)C)ncnc43)ccc2Sc2nccnc21.
What is the InChIKey of 9-[[10-(methoxymethyl)pyrazino[2,3-b][1,4]benzothiazin-8-yl]methyl]-N,N-dimethylpurin-6-amine?
The InChIKey is UQUIUHMCWRIYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N8OS/c1-26(2)17-16-18(24-10-23-17)27(11-25-16)9-13-4-5-15-14(8-13)28(12-29-3)19-20(30-15)22-7-6-21-19/h4-8,10-11H,9,12H2,1-3H3.
What are the key properties of 9-[[10-(methoxymethyl)pyrazino[2,3-b][1,4]benzothiazin-8-yl]methyl]-N,N-dimethylpurin-6-amine?
9-[[10-(methoxymethyl)pyrazino[2,3-b][1,4]benzothiazin-8-yl]methyl]-N,N-dimethylpurin-6-amine has a molecular weight of 420.50 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[10-(methoxymethyl)pyrazino[2,3-b][1,4]benzothiazin-8-yl]methyl]-N,N-dimethylpurin-6-amine is sourced from PubChem (CID 23565005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).