6-[(2S)-1-methylpyrrolidin-2-yl]-N-pyrazin-2-ylpyrazin-2-amine

C13H16N6 — CID 95836141

IUPAC6-[(2S)-1-methylpyrrolidin-2-yl]-N-pyrazin-2-ylpyrazin-2-amine
SMILESCN1CCC[C@H]1c1cncc(Nc2cnccn2)n1
InChIInChI=1S/C13H16N6/c1-19-6-2-3-11(19)10-7-15-9-13(17-10)18-12-8-14-4-5-16-12/h4-5,7-9,11H,2-3,6H2,1H3,(H,16,17,18)/t11-/m0/s1
InChIKeyAUCUMDCDVMXVHW-NSHDSACASA-N
MW256.31 g/mol
LogP1.78
Rot. Bonds3

About 6-[(2S)-1-methylpyrrolidin-2-yl]-N-pyrazin-2-ylpyrazin-2-amine

6-[(2S)-1-methylpyrrolidin-2-yl]-N-pyrazin-2-ylpyrazin-2-amine (PubChem CID 95836141) has the molecular formula C13H16N6 and a molecular weight of 256.31 g/mol. Its IUPAC name is 6-[(2S)-1-methylpyrrolidin-2-yl]-N-pyrazin-2-ylpyrazin-2-amine.

Molecular Properties

Compound Name6-[(2S)-1-methylpyrrolidin-2-yl]-N-pyrazin-2-ylpyrazin-2-amine
PubChem CID95836141
Molecular FormulaC13H16N6
Molecular Weight256.31 g/mol
Exact Mass256.14
IUPAC Name6-[(2S)-1-methylpyrrolidin-2-yl]-N-pyrazin-2-ylpyrazin-2-amine
SMILESCN1CCC[C@H]1c1cncc(Nc2cnccn2)n1
InChIInChI=1S/C13H16N6/c1-19-6-2-3-11(19)10-7-15-9-13(17-10)18-12-8-14-4-5-16-12/h4-5,7-9,11H,2-3,6H2,1H3,(H,16,17,18)/t11-/m0/s1
InChIKeyAUCUMDCDVMXVHW-NSHDSACASA-N
XLogP1.78
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-1-methylpyrrolidin-2-yl]-N-pyrazin-2-ylpyrazin-2-amine?
The IUPAC name of 6-[(2S)-1-methylpyrrolidin-2-yl]-N-pyrazin-2-ylpyrazin-2-amine (CID 95836141) is 6-[(2S)-1-methylpyrrolidin-2-yl]-N-pyrazin-2-ylpyrazin-2-amine.
What is the SMILES notation for 6-[(2S)-1-methylpyrrolidin-2-yl]-N-pyrazin-2-ylpyrazin-2-amine?
The canonical SMILES for 6-[(2S)-1-methylpyrrolidin-2-yl]-N-pyrazin-2-ylpyrazin-2-amine is CN1CCC[C@H]1c1cncc(Nc2cnccn2)n1.
What is the InChIKey of 6-[(2S)-1-methylpyrrolidin-2-yl]-N-pyrazin-2-ylpyrazin-2-amine?
The InChIKey is AUCUMDCDVMXVHW-NSHDSACASA-N. The full InChI is InChI=1S/C13H16N6/c1-19-6-2-3-11(19)10-7-15-9-13(17-10)18-12-8-14-4-5-16-12/h4-5,7-9,11H,2-3,6H2,1H3,(H,16,17,18)/t11-/m0/s1.
What are the key properties of 6-[(2S)-1-methylpyrrolidin-2-yl]-N-pyrazin-2-ylpyrazin-2-amine?
6-[(2S)-1-methylpyrrolidin-2-yl]-N-pyrazin-2-ylpyrazin-2-amine has a molecular weight of 256.31 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-1-methylpyrrolidin-2-yl]-N-pyrazin-2-ylpyrazin-2-amine is sourced from PubChem (CID 95836141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).