3-[6-(diethylamino)pyrazin-2-yl]benzimidazol-5-amine

C15H18N6 — CID 58217158

IUPAC3-[6-(diethylamino)pyrazin-2-yl]benzimidazol-5-amine
SMILESCCN(CC)c1cncc(-n2cnc3ccc(N)cc32)n1
InChIInChI=1S/C15H18N6/c1-3-20(4-2)14-8-17-9-15(19-14)21-10-18-12-6-5-11(16)7-13(12)21/h5-10H,3-4,16H2,1-2H3
InChIKeyJRWMYFXJVBUAQH-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.24
Rot. Bonds4

About 3-[6-(diethylamino)pyrazin-2-yl]benzimidazol-5-amine

3-[6-(diethylamino)pyrazin-2-yl]benzimidazol-5-amine (PubChem CID 58217158) has the molecular formula C15H18N6 and a molecular weight of 282.35 g/mol. Its IUPAC name is 3-[6-(diethylamino)pyrazin-2-yl]benzimidazol-5-amine.

Molecular Properties

Compound Name3-[6-(diethylamino)pyrazin-2-yl]benzimidazol-5-amine
PubChem CID58217158
Molecular FormulaC15H18N6
Molecular Weight282.35 g/mol
Exact Mass282.16
IUPAC Name3-[6-(diethylamino)pyrazin-2-yl]benzimidazol-5-amine
SMILESCCN(CC)c1cncc(-n2cnc3ccc(N)cc32)n1
InChIInChI=1S/C15H18N6/c1-3-20(4-2)14-8-17-9-15(19-14)21-10-18-12-6-5-11(16)7-13(12)21/h5-10H,3-4,16H2,1-2H3
InChIKeyJRWMYFXJVBUAQH-UHFFFAOYSA-N
XLogP2.24
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(diethylamino)pyrazin-2-yl]benzimidazol-5-amine?
The IUPAC name of 3-[6-(diethylamino)pyrazin-2-yl]benzimidazol-5-amine (CID 58217158) is 3-[6-(diethylamino)pyrazin-2-yl]benzimidazol-5-amine.
What is the SMILES notation for 3-[6-(diethylamino)pyrazin-2-yl]benzimidazol-5-amine?
The canonical SMILES for 3-[6-(diethylamino)pyrazin-2-yl]benzimidazol-5-amine is CCN(CC)c1cncc(-n2cnc3ccc(N)cc32)n1.
What is the InChIKey of 3-[6-(diethylamino)pyrazin-2-yl]benzimidazol-5-amine?
The InChIKey is JRWMYFXJVBUAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6/c1-3-20(4-2)14-8-17-9-15(19-14)21-10-18-12-6-5-11(16)7-13(12)21/h5-10H,3-4,16H2,1-2H3.
What are the key properties of 3-[6-(diethylamino)pyrazin-2-yl]benzimidazol-5-amine?
3-[6-(diethylamino)pyrazin-2-yl]benzimidazol-5-amine has a molecular weight of 282.35 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(diethylamino)pyrazin-2-yl]benzimidazol-5-amine is sourced from PubChem (CID 58217158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).