N-ethyl-7H-purin-6-amine

C7H9N5 — CID 13041071

IUPACN-ethyl-7H-purin-6-amine
SMILESCCNc1ncnc2nc[nH]c12
InChIInChI=1S/C7H9N5/c1-2-8-6-5-7(10-3-9-5)12-4-11-6/h3-4H,2H2,1H3,(H2,8,9,10,11,12)
InChIKeyGSVFENCKYURWTI-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.78
Rot. Bonds2

About N-ethyl-7H-purin-6-amine

N-ethyl-7H-purin-6-amine (PubChem CID 13041071) has the molecular formula C7H9N5 and a molecular weight of 163.18 g/mol. Its IUPAC name is N-ethyl-7H-purin-6-amine.

Molecular Properties

Compound NameN-ethyl-7H-purin-6-amine
PubChem CID13041071
Molecular FormulaC7H9N5
Molecular Weight163.18 g/mol
Exact Mass163.09
IUPAC NameN-ethyl-7H-purin-6-amine
SMILESCCNc1ncnc2nc[nH]c12
InChIInChI=1S/C7H9N5/c1-2-8-6-5-7(10-3-9-5)12-4-11-6/h3-4H,2H2,1H3,(H2,8,9,10,11,12)
InChIKeyGSVFENCKYURWTI-UHFFFAOYSA-N
XLogP0.78
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-7H-purin-6-amine?
The IUPAC name of N-ethyl-7H-purin-6-amine (CID 13041071) is N-ethyl-7H-purin-6-amine.
What is the SMILES notation for N-ethyl-7H-purin-6-amine?
The canonical SMILES for N-ethyl-7H-purin-6-amine is CCNc1ncnc2nc[nH]c12.
What is the InChIKey of N-ethyl-7H-purin-6-amine?
The InChIKey is GSVFENCKYURWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5/c1-2-8-6-5-7(10-3-9-5)12-4-11-6/h3-4H,2H2,1H3,(H2,8,9,10,11,12).
What are the key properties of N-ethyl-7H-purin-6-amine?
N-ethyl-7H-purin-6-amine has a molecular weight of 163.18 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-7H-purin-6-amine is sourced from PubChem (CID 13041071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).