2-N-(2,6-dichloro-4-fluorophenyl)-6-N-methylpyrazine-2,6-diamine

C11H9Cl2FN4 — CID 83082157

IUPAC2-N-(2,6-dichloro-4-fluorophenyl)-6-N-methylpyrazine-2,6-diamine
SMILESCNc1cncc(Nc2c(Cl)cc(F)cc2Cl)n1
InChIInChI=1S/C11H9Cl2FN4/c1-15-9-4-16-5-10(17-9)18-11-7(12)2-6(14)3-8(11)13/h2-5H,1H3,(H2,15,17,18)
InChIKeyUVVYFDCEHFIIMA-UHFFFAOYSA-N
MW287.13 g/mol
LogP3.71
Rot. Bonds3

About 2-N-(2,6-dichloro-4-fluorophenyl)-6-N-methylpyrazine-2,6-diamine

2-N-(2,6-dichloro-4-fluorophenyl)-6-N-methylpyrazine-2,6-diamine (PubChem CID 83082157) has the molecular formula C11H9Cl2FN4 and a molecular weight of 287.13 g/mol. Its IUPAC name is 2-N-(2,6-dichloro-4-fluorophenyl)-6-N-methylpyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-(2,6-dichloro-4-fluorophenyl)-6-N-methylpyrazine-2,6-diamine
PubChem CID83082157
Molecular FormulaC11H9Cl2FN4
Molecular Weight287.13 g/mol
Exact Mass286.02
IUPAC Name2-N-(2,6-dichloro-4-fluorophenyl)-6-N-methylpyrazine-2,6-diamine
SMILESCNc1cncc(Nc2c(Cl)cc(F)cc2Cl)n1
InChIInChI=1S/C11H9Cl2FN4/c1-15-9-4-16-5-10(17-9)18-11-7(12)2-6(14)3-8(11)13/h2-5H,1H3,(H2,15,17,18)
InChIKeyUVVYFDCEHFIIMA-UHFFFAOYSA-N
XLogP3.71
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.13
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2,6-dichloro-4-fluorophenyl)-6-N-methylpyrazine-2,6-diamine?
The IUPAC name of 2-N-(2,6-dichloro-4-fluorophenyl)-6-N-methylpyrazine-2,6-diamine (CID 83082157) is 2-N-(2,6-dichloro-4-fluorophenyl)-6-N-methylpyrazine-2,6-diamine.
What is the SMILES notation for 2-N-(2,6-dichloro-4-fluorophenyl)-6-N-methylpyrazine-2,6-diamine?
The canonical SMILES for 2-N-(2,6-dichloro-4-fluorophenyl)-6-N-methylpyrazine-2,6-diamine is CNc1cncc(Nc2c(Cl)cc(F)cc2Cl)n1.
What is the InChIKey of 2-N-(2,6-dichloro-4-fluorophenyl)-6-N-methylpyrazine-2,6-diamine?
The InChIKey is UVVYFDCEHFIIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2FN4/c1-15-9-4-16-5-10(17-9)18-11-7(12)2-6(14)3-8(11)13/h2-5H,1H3,(H2,15,17,18).
What are the key properties of 2-N-(2,6-dichloro-4-fluorophenyl)-6-N-methylpyrazine-2,6-diamine?
2-N-(2,6-dichloro-4-fluorophenyl)-6-N-methylpyrazine-2,6-diamine has a molecular weight of 287.13 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,6-dichloro-4-fluorophenyl)-6-N-methylpyrazine-2,6-diamine is sourced from PubChem (CID 83082157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).