6-(2,3-dimethylimidazol-4-yl)-N-(4-fluoropyrrolidin-3-yl)pyrazin-2-amine

C13H17FN6 — CID 76753399

IUPAC6-(2,3-dimethylimidazol-4-yl)-N-(4-fluoropyrrolidin-3-yl)pyrazin-2-amine
SMILESCc1ncc(-c2cncc(NC3CNCC3F)n2)n1C
InChIInChI=1S/C13H17FN6/c1-8-17-6-12(20(8)2)11-5-16-7-13(19-11)18-10-4-15-3-9(10)14/h5-7,9-10,15H,3-4H2,1-2H3,(H,18,19)
InChIKeyHSWJAEASPBSULK-UHFFFAOYSA-N
MW276.32 g/mol
LogP0.91
Rot. Bonds3

About 6-(2,3-dimethylimidazol-4-yl)-N-(4-fluoropyrrolidin-3-yl)pyrazin-2-amine

6-(2,3-dimethylimidazol-4-yl)-N-(4-fluoropyrrolidin-3-yl)pyrazin-2-amine (PubChem CID 76753399) has the molecular formula C13H17FN6 and a molecular weight of 276.32 g/mol. Its IUPAC name is 6-(2,3-dimethylimidazol-4-yl)-N-(4-fluoropyrrolidin-3-yl)pyrazin-2-amine.

Molecular Properties

Compound Name6-(2,3-dimethylimidazol-4-yl)-N-(4-fluoropyrrolidin-3-yl)pyrazin-2-amine
PubChem CID76753399
Molecular FormulaC13H17FN6
Molecular Weight276.32 g/mol
Exact Mass276.15
IUPAC Name6-(2,3-dimethylimidazol-4-yl)-N-(4-fluoropyrrolidin-3-yl)pyrazin-2-amine
SMILESCc1ncc(-c2cncc(NC3CNCC3F)n2)n1C
InChIInChI=1S/C13H17FN6/c1-8-17-6-12(20(8)2)11-5-16-7-13(19-11)18-10-4-15-3-9(10)14/h5-7,9-10,15H,3-4H2,1-2H3,(H,18,19)
InChIKeyHSWJAEASPBSULK-UHFFFAOYSA-N
XLogP0.91
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dimethylimidazol-4-yl)-N-(4-fluoropyrrolidin-3-yl)pyrazin-2-amine?
The IUPAC name of 6-(2,3-dimethylimidazol-4-yl)-N-(4-fluoropyrrolidin-3-yl)pyrazin-2-amine (CID 76753399) is 6-(2,3-dimethylimidazol-4-yl)-N-(4-fluoropyrrolidin-3-yl)pyrazin-2-amine.
What is the SMILES notation for 6-(2,3-dimethylimidazol-4-yl)-N-(4-fluoropyrrolidin-3-yl)pyrazin-2-amine?
The canonical SMILES for 6-(2,3-dimethylimidazol-4-yl)-N-(4-fluoropyrrolidin-3-yl)pyrazin-2-amine is Cc1ncc(-c2cncc(NC3CNCC3F)n2)n1C.
What is the InChIKey of 6-(2,3-dimethylimidazol-4-yl)-N-(4-fluoropyrrolidin-3-yl)pyrazin-2-amine?
The InChIKey is HSWJAEASPBSULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN6/c1-8-17-6-12(20(8)2)11-5-16-7-13(19-11)18-10-4-15-3-9(10)14/h5-7,9-10,15H,3-4H2,1-2H3,(H,18,19).
What are the key properties of 6-(2,3-dimethylimidazol-4-yl)-N-(4-fluoropyrrolidin-3-yl)pyrazin-2-amine?
6-(2,3-dimethylimidazol-4-yl)-N-(4-fluoropyrrolidin-3-yl)pyrazin-2-amine has a molecular weight of 276.32 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dimethylimidazol-4-yl)-N-(4-fluoropyrrolidin-3-yl)pyrazin-2-amine is sourced from PubChem (CID 76753399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).