2-N-ethyl-6-N-methyl-2-N-naphthalen-1-ylpyrazine-2,6-diamine

C17H18N4 — CID 80756634

IUPAC2-N-ethyl-6-N-methyl-2-N-naphthalen-1-ylpyrazine-2,6-diamine
SMILESCCN(c1cncc(NC)n1)c1cccc2ccccc12
InChIInChI=1S/C17H18N4/c1-3-21(17-12-19-11-16(18-2)20-17)15-10-6-8-13-7-4-5-9-14(13)15/h4-12H,3H2,1-2H3,(H,18,20)
InChIKeyITXRJHFEGORKIY-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.83
Rot. Bonds4

About 2-N-ethyl-6-N-methyl-2-N-naphthalen-1-ylpyrazine-2,6-diamine

2-N-ethyl-6-N-methyl-2-N-naphthalen-1-ylpyrazine-2,6-diamine (PubChem CID 80756634) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-N-ethyl-6-N-methyl-2-N-naphthalen-1-ylpyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-N-methyl-2-N-naphthalen-1-ylpyrazine-2,6-diamine
PubChem CID80756634
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name2-N-ethyl-6-N-methyl-2-N-naphthalen-1-ylpyrazine-2,6-diamine
SMILESCCN(c1cncc(NC)n1)c1cccc2ccccc12
InChIInChI=1S/C17H18N4/c1-3-21(17-12-19-11-16(18-2)20-17)15-10-6-8-13-7-4-5-9-14(13)15/h4-12H,3H2,1-2H3,(H,18,20)
InChIKeyITXRJHFEGORKIY-UHFFFAOYSA-N
XLogP3.83
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-N-methyl-2-N-naphthalen-1-ylpyrazine-2,6-diamine?
The IUPAC name of 2-N-ethyl-6-N-methyl-2-N-naphthalen-1-ylpyrazine-2,6-diamine (CID 80756634) is 2-N-ethyl-6-N-methyl-2-N-naphthalen-1-ylpyrazine-2,6-diamine.
What is the SMILES notation for 2-N-ethyl-6-N-methyl-2-N-naphthalen-1-ylpyrazine-2,6-diamine?
The canonical SMILES for 2-N-ethyl-6-N-methyl-2-N-naphthalen-1-ylpyrazine-2,6-diamine is CCN(c1cncc(NC)n1)c1cccc2ccccc12.
What is the InChIKey of 2-N-ethyl-6-N-methyl-2-N-naphthalen-1-ylpyrazine-2,6-diamine?
The InChIKey is ITXRJHFEGORKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-3-21(17-12-19-11-16(18-2)20-17)15-10-6-8-13-7-4-5-9-14(13)15/h4-12H,3H2,1-2H3,(H,18,20).
What are the key properties of 2-N-ethyl-6-N-methyl-2-N-naphthalen-1-ylpyrazine-2,6-diamine?
2-N-ethyl-6-N-methyl-2-N-naphthalen-1-ylpyrazine-2,6-diamine has a molecular weight of 278.36 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6-N-methyl-2-N-naphthalen-1-ylpyrazine-2,6-diamine is sourced from PubChem (CID 80756634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).