1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone

C15H20N6O — CID 118739923

IUPAC1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone
SMILESCNc1cncc(C2CCCN2C(=O)Cn2ccnc2C)n1
InChIInChI=1S/C15H20N6O/c1-11-18-5-7-20(11)10-15(22)21-6-3-4-13(21)12-8-17-9-14(16-2)19-12/h5,7-9,13H,3-4,6,10H2,1-2H3,(H,16,19)
InChIKeyQCEFOXVDNDYHIH-UHFFFAOYSA-N
MW300.37 g/mol
LogP1.39
Rot. Bonds4

About 1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone

1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone (PubChem CID 118739923) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is 1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone
PubChem CID118739923
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone
SMILESCNc1cncc(C2CCCN2C(=O)Cn2ccnc2C)n1
InChIInChI=1S/C15H20N6O/c1-11-18-5-7-20(11)10-15(22)21-6-3-4-13(21)12-8-17-9-14(16-2)19-12/h5,7-9,13H,3-4,6,10H2,1-2H3,(H,16,19)
InChIKeyQCEFOXVDNDYHIH-UHFFFAOYSA-N
XLogP1.39
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone?
The IUPAC name of 1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone (CID 118739923) is 1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone.
What is the SMILES notation for 1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone?
The canonical SMILES for 1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone is CNc1cncc(C2CCCN2C(=O)Cn2ccnc2C)n1.
What is the InChIKey of 1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone?
The InChIKey is QCEFOXVDNDYHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-11-18-5-7-20(11)10-15(22)21-6-3-4-13(21)12-8-17-9-14(16-2)19-12/h5,7-9,13H,3-4,6,10H2,1-2H3,(H,16,19).
What are the key properties of 1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone?
1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone has a molecular weight of 300.37 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone is sourced from PubChem (CID 118739923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).