2-amino-7-ethoxy-1-methylpurin-6-one

C8H11N5O2 — CID 67811579

IUPAC2-amino-7-ethoxy-1-methylpurin-6-one
SMILESCCOn1cnc2nc(N)n(C)c(=O)c21
InChIInChI=1S/C8H11N5O2/c1-3-15-13-4-10-6-5(13)7(14)12(2)8(9)11-6/h4H,3H2,1-2H3,(H2,9,11)
InChIKeyZNNMSUJGKFLRSW-UHFFFAOYSA-N
MW209.21 g/mol
LogP-0.84
Rot. Bonds2

About 2-amino-7-ethoxy-1-methylpurin-6-one

2-amino-7-ethoxy-1-methylpurin-6-one (PubChem CID 67811579) has the molecular formula C8H11N5O2 and a molecular weight of 209.21 g/mol. Its IUPAC name is 2-amino-7-ethoxy-1-methylpurin-6-one.

Molecular Properties

Compound Name2-amino-7-ethoxy-1-methylpurin-6-one
PubChem CID67811579
Molecular FormulaC8H11N5O2
Molecular Weight209.21 g/mol
Exact Mass209.09
IUPAC Name2-amino-7-ethoxy-1-methylpurin-6-one
SMILESCCOn1cnc2nc(N)n(C)c(=O)c21
InChIInChI=1S/C8H11N5O2/c1-3-15-13-4-10-6-5(13)7(14)12(2)8(9)11-6/h4H,3H2,1-2H3,(H2,9,11)
InChIKeyZNNMSUJGKFLRSW-UHFFFAOYSA-N
XLogP-0.84
TPSA87.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-ethoxy-1-methylpurin-6-one?
The IUPAC name of 2-amino-7-ethoxy-1-methylpurin-6-one (CID 67811579) is 2-amino-7-ethoxy-1-methylpurin-6-one.
What is the SMILES notation for 2-amino-7-ethoxy-1-methylpurin-6-one?
The canonical SMILES for 2-amino-7-ethoxy-1-methylpurin-6-one is CCOn1cnc2nc(N)n(C)c(=O)c21.
What is the InChIKey of 2-amino-7-ethoxy-1-methylpurin-6-one?
The InChIKey is ZNNMSUJGKFLRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O2/c1-3-15-13-4-10-6-5(13)7(14)12(2)8(9)11-6/h4H,3H2,1-2H3,(H2,9,11).
What are the key properties of 2-amino-7-ethoxy-1-methylpurin-6-one?
2-amino-7-ethoxy-1-methylpurin-6-one has a molecular weight of 209.21 g/mol, XLogP of -0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-ethoxy-1-methylpurin-6-one is sourced from PubChem (CID 67811579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).