1-ethyl-7H-purin-6-imine

C7H9N5 — CID 135398554

IUPAC1-ethyl-7H-purin-6-imine
SMILES[H]/N=c1/c2[nH]cnc2ncn1CC
InChIInChI=1S/C7H9N5/c1-2-12-4-11-7-5(6(12)8)9-3-10-7/h3-4,8H,2H2,1H3,(H,9,10)/b8-6-
InChIKeyOWKBVCFUBQHCRK-VURMDHGXSA-N
MW163.18 g/mol
LogP0.26
Rot. Bonds1

About 1-ethyl-7H-purin-6-imine

1-ethyl-7H-purin-6-imine (PubChem CID 135398554) has the molecular formula C7H9N5 and a molecular weight of 163.18 g/mol. Its IUPAC name is 1-ethyl-7H-purin-6-imine.

Molecular Properties

Compound Name1-ethyl-7H-purin-6-imine
PubChem CID135398554
Molecular FormulaC7H9N5
Molecular Weight163.18 g/mol
Exact Mass163.09
IUPAC Name1-ethyl-7H-purin-6-imine
SMILES[H]/N=c1/c2[nH]cnc2ncn1CC
InChIInChI=1S/C7H9N5/c1-2-12-4-11-7-5(6(12)8)9-3-10-7/h3-4,8H,2H2,1H3,(H,9,10)/b8-6-
InChIKeyOWKBVCFUBQHCRK-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 1-ethyl-7H-purin-6-imine?
The IUPAC name of 1-ethyl-7H-purin-6-imine (CID 135398554) is 1-ethyl-7H-purin-6-imine.
What is the SMILES notation for 1-ethyl-7H-purin-6-imine?
The canonical SMILES for 1-ethyl-7H-purin-6-imine is [H]/N=c1/c2[nH]cnc2ncn1CC.
What is the InChIKey of 1-ethyl-7H-purin-6-imine?
The InChIKey is OWKBVCFUBQHCRK-VURMDHGXSA-N. The full InChI is InChI=1S/C7H9N5/c1-2-12-4-11-7-5(6(12)8)9-3-10-7/h3-4,8H,2H2,1H3,(H,9,10)/b8-6-.
What are the key properties of 1-ethyl-7H-purin-6-imine?
1-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 1-ethyl-7H-purin-6-imine is sourced from PubChem (CID 135398554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).