2-N-[2-(3,5-difluorophenyl)ethyl]pyrazine-2,6-diamine

C12H12F2N4 — CID 78988905

IUPAC2-N-[2-(3,5-difluorophenyl)ethyl]pyrazine-2,6-diamine
SMILESNc1cncc(NCCc2cc(F)cc(F)c2)n1
InChIInChI=1S/C12H12F2N4/c13-9-3-8(4-10(14)5-9)1-2-17-12-7-16-6-11(15)18-12/h3-7H,1-2H2,(H3,15,17,18)
InChIKeyMCAKLSVXGYJLGF-UHFFFAOYSA-N
MW250.25 g/mol
LogP1.99
Rot. Bonds4

About 2-N-[2-(3,5-difluorophenyl)ethyl]pyrazine-2,6-diamine

2-N-[2-(3,5-difluorophenyl)ethyl]pyrazine-2,6-diamine (PubChem CID 78988905) has the molecular formula C12H12F2N4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 2-N-[2-(3,5-difluorophenyl)ethyl]pyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-[2-(3,5-difluorophenyl)ethyl]pyrazine-2,6-diamine
PubChem CID78988905
Molecular FormulaC12H12F2N4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name2-N-[2-(3,5-difluorophenyl)ethyl]pyrazine-2,6-diamine
SMILESNc1cncc(NCCc2cc(F)cc(F)c2)n1
InChIInChI=1S/C12H12F2N4/c13-9-3-8(4-10(14)5-9)1-2-17-12-7-16-6-11(15)18-12/h3-7H,1-2H2,(H3,15,17,18)
InChIKeyMCAKLSVXGYJLGF-UHFFFAOYSA-N
XLogP1.99
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[2-(3,5-difluorophenyl)ethyl]pyrimidine-2,5-diamine
CID 55093624
2-N-[(3,4-difluorophenyl)methyl]pyrazine-2,6-diamine
CID 78988973
N-[2-(3,5-difluorophenyl)ethyl]-6-fluoropyrimidin-4-amine
CID 113305702
4-N-[2-(3,5-difluorophenyl)ethyl]-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80804289
2-N-ethylpyrazine-2,6-diamine
CID 69290778
2-N-(3,3-dimethylbutyl)pyrazine-2,6-diamine
CID 115599185
2-N-benzylpyrazine-2,6-diamine
CID 70838336
2-[(6-aminopyrazin-2-yl)amino]-N-methylethanesulfonamide
CID 106343062
N-[2-(3,5-difluorophenyl)ethyl]-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80919063
2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazine-2,6-diamine
CID 104626530
4-bromo-2-N-[2-(3,5-difluorophenyl)ethyl]-5-fluorobenzene-1,2-diamine
CID 116735859
2-N-[2-(3,5-difluorophenyl)ethyl]-3-nitropyridine-2,6-diamine
CID 80803855

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(3,5-difluorophenyl)ethyl]pyrazine-2,6-diamine?
The IUPAC name of 2-N-[2-(3,5-difluorophenyl)ethyl]pyrazine-2,6-diamine (CID 78988905) is 2-N-[2-(3,5-difluorophenyl)ethyl]pyrazine-2,6-diamine.
What is the SMILES notation for 2-N-[2-(3,5-difluorophenyl)ethyl]pyrazine-2,6-diamine?
The canonical SMILES for 2-N-[2-(3,5-difluorophenyl)ethyl]pyrazine-2,6-diamine is Nc1cncc(NCCc2cc(F)cc(F)c2)n1.
What is the InChIKey of 2-N-[2-(3,5-difluorophenyl)ethyl]pyrazine-2,6-diamine?
The InChIKey is MCAKLSVXGYJLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4/c13-9-3-8(4-10(14)5-9)1-2-17-12-7-16-6-11(15)18-12/h3-7H,1-2H2,(H3,15,17,18).
What are the key properties of 2-N-[2-(3,5-difluorophenyl)ethyl]pyrazine-2,6-diamine?
2-N-[2-(3,5-difluorophenyl)ethyl]pyrazine-2,6-diamine has a molecular weight of 250.25 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(3,5-difluorophenyl)ethyl]pyrazine-2,6-diamine is sourced from PubChem (CID 78988905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).