1-[6-(tert-butylamino)pyrazin-2-yl]benzimidazol-5-amine

C15H18N6 — CID 59783942

IUPAC1-[6-(tert-butylamino)pyrazin-2-yl]benzimidazol-5-amine
SMILESCC(C)(C)Nc1cncc(-n2cnc3cc(N)ccc32)n1
InChIInChI=1S/C15H18N6/c1-15(2,3)20-13-7-17-8-14(19-13)21-9-18-11-6-10(16)4-5-12(11)21/h4-9H,16H2,1-3H3,(H,19,20)
InChIKeyKHOLUQIFONZFHZ-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.61
Rot. Bonds2

About 1-[6-(tert-butylamino)pyrazin-2-yl]benzimidazol-5-amine

1-[6-(tert-butylamino)pyrazin-2-yl]benzimidazol-5-amine (PubChem CID 59783942) has the molecular formula C15H18N6 and a molecular weight of 282.35 g/mol. Its IUPAC name is 1-[6-(tert-butylamino)pyrazin-2-yl]benzimidazol-5-amine.

Molecular Properties

Compound Name1-[6-(tert-butylamino)pyrazin-2-yl]benzimidazol-5-amine
PubChem CID59783942
Molecular FormulaC15H18N6
Molecular Weight282.35 g/mol
Exact Mass282.16
IUPAC Name1-[6-(tert-butylamino)pyrazin-2-yl]benzimidazol-5-amine
SMILESCC(C)(C)Nc1cncc(-n2cnc3cc(N)ccc32)n1
InChIInChI=1S/C15H18N6/c1-15(2,3)20-13-7-17-8-14(19-13)21-9-18-11-6-10(16)4-5-12(11)21/h4-9H,16H2,1-3H3,(H,19,20)
InChIKeyKHOLUQIFONZFHZ-UHFFFAOYSA-N
XLogP2.61
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.61
H-Bond Donors ≤ 52
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 1-[6-(tert-butylamino)pyrazin-2-yl]benzimidazol-5-amine?
The IUPAC name of 1-[6-(tert-butylamino)pyrazin-2-yl]benzimidazol-5-amine (CID 59783942) is 1-[6-(tert-butylamino)pyrazin-2-yl]benzimidazol-5-amine.
What is the SMILES notation for 1-[6-(tert-butylamino)pyrazin-2-yl]benzimidazol-5-amine?
The canonical SMILES for 1-[6-(tert-butylamino)pyrazin-2-yl]benzimidazol-5-amine is CC(C)(C)Nc1cncc(-n2cnc3cc(N)ccc32)n1.
What is the InChIKey of 1-[6-(tert-butylamino)pyrazin-2-yl]benzimidazol-5-amine?
The InChIKey is KHOLUQIFONZFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6/c1-15(2,3)20-13-7-17-8-14(19-13)21-9-18-11-6-10(16)4-5-12(11)21/h4-9H,16H2,1-3H3,(H,19,20).
What are the key properties of 1-[6-(tert-butylamino)pyrazin-2-yl]benzimidazol-5-amine?
1-[6-(tert-butylamino)pyrazin-2-yl]benzimidazol-5-amine has a molecular weight of 282.35 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(tert-butylamino)pyrazin-2-yl]benzimidazol-5-amine is sourced from PubChem (CID 59783942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).