3-ethyl-7-methoxypurin-6-imine

C8H11N5O — CID 10845451

IUPAC3-ethyl-7-methoxypurin-6-imine
SMILES[H]/N=c1\ncn(CC)c2ncn(OC)c12
InChIInChI=1S/C8H11N5O/c1-3-12-4-10-7(9)6-8(12)11-5-13(6)14-2/h4-5,9H,3H2,1-2H3/b9-7-
InChIKeyVDLLVGIEOVFUIR-CLFYSBASSA-N
MW193.21 g/mol
LogP-0.21
Rot. Bonds2

About 3-ethyl-7-methoxypurin-6-imine

3-ethyl-7-methoxypurin-6-imine (PubChem CID 10845451) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is 3-ethyl-7-methoxypurin-6-imine.

Molecular Properties

Compound Name3-ethyl-7-methoxypurin-6-imine
PubChem CID10845451
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC Name3-ethyl-7-methoxypurin-6-imine
SMILES[H]/N=c1\ncn(CC)c2ncn(OC)c12
InChIInChI=1S/C8H11N5O/c1-3-12-4-10-7(9)6-8(12)11-5-13(6)14-2/h4-5,9H,3H2,1-2H3/b9-7-
InChIKeyVDLLVGIEOVFUIR-CLFYSBASSA-N
XLogP-0.21
TPSA68.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-methoxypurin-6-imine?
The IUPAC name of 3-ethyl-7-methoxypurin-6-imine (CID 10845451) is 3-ethyl-7-methoxypurin-6-imine.
What is the SMILES notation for 3-ethyl-7-methoxypurin-6-imine?
The canonical SMILES for 3-ethyl-7-methoxypurin-6-imine is [H]/N=c1\ncn(CC)c2ncn(OC)c12.
What is the InChIKey of 3-ethyl-7-methoxypurin-6-imine?
The InChIKey is VDLLVGIEOVFUIR-CLFYSBASSA-N. The full InChI is InChI=1S/C8H11N5O/c1-3-12-4-10-7(9)6-8(12)11-5-13(6)14-2/h4-5,9H,3H2,1-2H3/b9-7-.
What are the key properties of 3-ethyl-7-methoxypurin-6-imine?
3-ethyl-7-methoxypurin-6-imine has a molecular weight of 193.21 g/mol, XLogP of -0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-methoxypurin-6-imine is sourced from PubChem (CID 10845451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).