6-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-1-(2-methoxy-3-pyridinyl)-2H-pyrazine-2,6-diamine

C17H19FN6O — CID 90409440

IUPAC6-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-1-(2-methoxy-3-pyridinyl)-2H-pyrazine-2,6-diamine
SMILESCOc1ncccc1N1C(N[C@@H](C)c2ccc(F)cn2)=CN=CC1N
InChIInChI=1S/C17H19FN6O/c1-11(13-6-5-12(18)8-22-13)23-16-10-20-9-15(19)24(16)14-4-3-7-21-17(14)25-2/h3-11,15,23H,19H2,1-2H3/t11-,15?/m0/s1
InChIKeyMFAXIACQQAISQA-VPHXOMNUSA-N
MW342.38 g/mol
LogP1.95
Rot. Bonds5

About 6-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-1-(2-methoxy-3-pyridinyl)-2H-pyrazine-2,6-diamine

6-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-1-(2-methoxy-3-pyridinyl)-2H-pyrazine-2,6-diamine (PubChem CID 90409440) has the molecular formula C17H19FN6O and a molecular weight of 342.38 g/mol. Its IUPAC name is 6-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-1-(2-methoxy-3-pyridinyl)-2H-pyrazine-2,6-diamine.

Molecular Properties

Compound Name6-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-1-(2-methoxy-3-pyridinyl)-2H-pyrazine-2,6-diamine
PubChem CID90409440
Molecular FormulaC17H19FN6O
Molecular Weight342.38 g/mol
Exact Mass342.16
IUPAC Name6-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-1-(2-methoxy-3-pyridinyl)-2H-pyrazine-2,6-diamine
SMILESCOc1ncccc1N1C(N[C@@H](C)c2ccc(F)cn2)=CN=CC1N
InChIInChI=1S/C17H19FN6O/c1-11(13-6-5-12(18)8-22-13)23-16-10-20-9-15(19)24(16)14-4-3-7-21-17(14)25-2/h3-11,15,23H,19H2,1-2H3/t11-,15?/m0/s1
InChIKeyMFAXIACQQAISQA-VPHXOMNUSA-N
XLogP1.95
TPSA88.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-1-(2-methoxy-3-pyridinyl)-2H-pyrazine-2,6-diamine?
The IUPAC name of 6-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-1-(2-methoxy-3-pyridinyl)-2H-pyrazine-2,6-diamine (CID 90409440) is 6-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-1-(2-methoxy-3-pyridinyl)-2H-pyrazine-2,6-diamine.
What is the SMILES notation for 6-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-1-(2-methoxy-3-pyridinyl)-2H-pyrazine-2,6-diamine?
The canonical SMILES for 6-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-1-(2-methoxy-3-pyridinyl)-2H-pyrazine-2,6-diamine is COc1ncccc1N1C(N[C@@H](C)c2ccc(F)cn2)=CN=CC1N.
What is the InChIKey of 6-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-1-(2-methoxy-3-pyridinyl)-2H-pyrazine-2,6-diamine?
The InChIKey is MFAXIACQQAISQA-VPHXOMNUSA-N. The full InChI is InChI=1S/C17H19FN6O/c1-11(13-6-5-12(18)8-22-13)23-16-10-20-9-15(19)24(16)14-4-3-7-21-17(14)25-2/h3-11,15,23H,19H2,1-2H3/t11-,15?/m0/s1.
What are the key properties of 6-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-1-(2-methoxy-3-pyridinyl)-2H-pyrazine-2,6-diamine?
6-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-1-(2-methoxy-3-pyridinyl)-2H-pyrazine-2,6-diamine has a molecular weight of 342.38 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-1-(2-methoxy-3-pyridinyl)-2H-pyrazine-2,6-diamine is sourced from PubChem (CID 90409440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).