2-N-[1-(2-fluorophenyl)ethyl]-6-N-methylpyrazine-2,6-diamine

C13H15FN4 — CID 80802046

IUPAC2-N-[1-(2-fluorophenyl)ethyl]-6-N-methylpyrazine-2,6-diamine
SMILESCNc1cncc(NC(C)c2ccccc2F)n1
InChIInChI=1S/C13H15FN4/c1-9(10-5-3-4-6-11(10)14)17-13-8-16-7-12(15-2)18-13/h3-9H,1-2H3,(H2,15,17,18)
InChIKeyAJYHEPMCDRWASW-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.83
Rot. Bonds4

About 2-N-[1-(2-fluorophenyl)ethyl]-6-N-methylpyrazine-2,6-diamine

2-N-[1-(2-fluorophenyl)ethyl]-6-N-methylpyrazine-2,6-diamine (PubChem CID 80802046) has the molecular formula C13H15FN4 and a molecular weight of 246.29 g/mol. Its IUPAC name is 2-N-[1-(2-fluorophenyl)ethyl]-6-N-methylpyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-[1-(2-fluorophenyl)ethyl]-6-N-methylpyrazine-2,6-diamine
PubChem CID80802046
Molecular FormulaC13H15FN4
Molecular Weight246.29 g/mol
Exact Mass246.13
IUPAC Name2-N-[1-(2-fluorophenyl)ethyl]-6-N-methylpyrazine-2,6-diamine
SMILESCNc1cncc(NC(C)c2ccccc2F)n1
InChIInChI=1S/C13H15FN4/c1-9(10-5-3-4-6-11(10)14)17-13-8-16-7-12(15-2)18-13/h3-9H,1-2H3,(H2,15,17,18)
InChIKeyAJYHEPMCDRWASW-UHFFFAOYSA-N
XLogP2.83
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[1-(2-chlorophenyl)ethyl]-6-N-methylpyrazine-2,6-diamine
CID 80802030
methyl 6-[1-(2-fluorophenyl)ethylamino]pyrazine-2-carboxylate
CID 66456508
6-chloro-N-[1-(2-fluorophenyl)ethyl]pyridin-2-amine
CID 63586892
N-[(1R)-1-(2-fluorophenyl)ethyl]pyridin-4-amine
CID 94222755
6-N-[1-(2-fluorophenyl)ethyl]-2-N-propylpyridine-2,6-diamine
CID 80802273
4-N-[1-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 80801582
4-[1-(2-fluorophenyl)ethylamino]-2-methyl-1H-pyrimidin-6-one
CID 137016292
2-fluoro-N-[1-(2-fluorophenyl)ethyl]aniline
CID 43194893
N-[1-(2-fluorophenyl)ethyl]-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
CID 80964999
6-N-methyl-2-N-[1-(5-methylthiophen-2-yl)ethyl]pyrazine-2,6-diamine
CID 80800505
N-[1-(2-fluorophenyl)ethyl]-5-iodopyrimidin-2-amine
CID 104839907
4-N-[1-(2-fluorophenyl)ethyl]pyridine-3,4-diamine
CID 54964707

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(2-fluorophenyl)ethyl]-6-N-methylpyrazine-2,6-diamine?
The IUPAC name of 2-N-[1-(2-fluorophenyl)ethyl]-6-N-methylpyrazine-2,6-diamine (CID 80802046) is 2-N-[1-(2-fluorophenyl)ethyl]-6-N-methylpyrazine-2,6-diamine.
What is the SMILES notation for 2-N-[1-(2-fluorophenyl)ethyl]-6-N-methylpyrazine-2,6-diamine?
The canonical SMILES for 2-N-[1-(2-fluorophenyl)ethyl]-6-N-methylpyrazine-2,6-diamine is CNc1cncc(NC(C)c2ccccc2F)n1.
What is the InChIKey of 2-N-[1-(2-fluorophenyl)ethyl]-6-N-methylpyrazine-2,6-diamine?
The InChIKey is AJYHEPMCDRWASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4/c1-9(10-5-3-4-6-11(10)14)17-13-8-16-7-12(15-2)18-13/h3-9H,1-2H3,(H2,15,17,18).
What are the key properties of 2-N-[1-(2-fluorophenyl)ethyl]-6-N-methylpyrazine-2,6-diamine?
2-N-[1-(2-fluorophenyl)ethyl]-6-N-methylpyrazine-2,6-diamine has a molecular weight of 246.29 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(2-fluorophenyl)ethyl]-6-N-methylpyrazine-2,6-diamine is sourced from PubChem (CID 80802046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).