3-ethyl-7H-purin-6-imine

C7H9N5 — CID 135435067

IUPAC3-ethyl-7H-purin-6-imine
SMILES[H]/N=c1\ncn(CC)c2nc[nH]c12
InChIInChI=1S/C7H9N5/c1-2-12-4-11-6(8)5-7(12)10-3-9-5/h3-4,8H,2H2,1H3,(H,9,10)/b8-6-
InChIKeyXAZTXNQITCBSCJ-VURMDHGXSA-N
MW163.18 g/mol
LogP0.26
Rot. Bonds1

About 3-ethyl-7H-purin-6-imine

3-ethyl-7H-purin-6-imine (PubChem CID 135435067) has the molecular formula C7H9N5 and a molecular weight of 163.18 g/mol. Its IUPAC name is 3-ethyl-7H-purin-6-imine.

Molecular Properties

Compound Name3-ethyl-7H-purin-6-imine
PubChem CID135435067
Molecular FormulaC7H9N5
Molecular Weight163.18 g/mol
Exact Mass163.09
IUPAC Name3-ethyl-7H-purin-6-imine
SMILES[H]/N=c1\ncn(CC)c2nc[nH]c12
InChIInChI=1S/C7H9N5/c1-2-12-4-11-6(8)5-7(12)10-3-9-5/h3-4,8H,2H2,1H3,(H,9,10)/b8-6-
InChIKeyXAZTXNQITCBSCJ-VURMDHGXSA-N
XLogP0.26
TPSA70.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7H-purin-6-imine?
The IUPAC name of 3-ethyl-7H-purin-6-imine (CID 135435067) is 3-ethyl-7H-purin-6-imine.
What is the SMILES notation for 3-ethyl-7H-purin-6-imine?
The canonical SMILES for 3-ethyl-7H-purin-6-imine is [H]/N=c1\ncn(CC)c2nc[nH]c12.
What is the InChIKey of 3-ethyl-7H-purin-6-imine?
The InChIKey is XAZTXNQITCBSCJ-VURMDHGXSA-N. The full InChI is InChI=1S/C7H9N5/c1-2-12-4-11-6(8)5-7(12)10-3-9-5/h3-4,8H,2H2,1H3,(H,9,10)/b8-6-.
What are the key properties of 3-ethyl-7H-purin-6-imine?
3-ethyl-7H-purin-6-imine has a molecular weight of 163.18 g/mol, XLogP of 0.26, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7H-purin-6-imine is sourced from PubChem (CID 135435067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).