6-N-methyl-2-N-(2,3,4,5,6-pentafluorophenyl)pyrazine-2,6-diamine

C11H7F5N4 — CID 115565279

IUPAC6-N-methyl-2-N-(2,3,4,5,6-pentafluorophenyl)pyrazine-2,6-diamine
SMILESCNc1cncc(Nc2c(F)c(F)c(F)c(F)c2F)n1
InChIInChI=1S/C11H7F5N4/c1-17-4-2-18-3-5(19-4)20-11-9(15)7(13)6(12)8(14)10(11)16/h2-3H,1H3,(H2,17,19,20)
InChIKeyZCVUAODLBMSHAW-UHFFFAOYSA-N
MW290.19 g/mol
LogP2.96
Rot. Bonds3

About 6-N-methyl-2-N-(2,3,4,5,6-pentafluorophenyl)pyrazine-2,6-diamine

6-N-methyl-2-N-(2,3,4,5,6-pentafluorophenyl)pyrazine-2,6-diamine (PubChem CID 115565279) has the molecular formula C11H7F5N4 and a molecular weight of 290.19 g/mol. Its IUPAC name is 6-N-methyl-2-N-(2,3,4,5,6-pentafluorophenyl)pyrazine-2,6-diamine.

Molecular Properties

Compound Name6-N-methyl-2-N-(2,3,4,5,6-pentafluorophenyl)pyrazine-2,6-diamine
PubChem CID115565279
Molecular FormulaC11H7F5N4
Molecular Weight290.19 g/mol
Exact Mass290.06
IUPAC Name6-N-methyl-2-N-(2,3,4,5,6-pentafluorophenyl)pyrazine-2,6-diamine
SMILESCNc1cncc(Nc2c(F)c(F)c(F)c(F)c2F)n1
InChIInChI=1S/C11H7F5N4/c1-17-4-2-18-3-5(19-4)20-11-9(15)7(13)6(12)8(14)10(11)16/h2-3H,1H3,(H2,17,19,20)
InChIKeyZCVUAODLBMSHAW-UHFFFAOYSA-N
XLogP2.96
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-2-N-(2,3,4,5,6-pentafluorophenyl)pyrazine-2,6-diamine?
The IUPAC name of 6-N-methyl-2-N-(2,3,4,5,6-pentafluorophenyl)pyrazine-2,6-diamine (CID 115565279) is 6-N-methyl-2-N-(2,3,4,5,6-pentafluorophenyl)pyrazine-2,6-diamine.
What is the SMILES notation for 6-N-methyl-2-N-(2,3,4,5,6-pentafluorophenyl)pyrazine-2,6-diamine?
The canonical SMILES for 6-N-methyl-2-N-(2,3,4,5,6-pentafluorophenyl)pyrazine-2,6-diamine is CNc1cncc(Nc2c(F)c(F)c(F)c(F)c2F)n1.
What is the InChIKey of 6-N-methyl-2-N-(2,3,4,5,6-pentafluorophenyl)pyrazine-2,6-diamine?
The InChIKey is ZCVUAODLBMSHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F5N4/c1-17-4-2-18-3-5(19-4)20-11-9(15)7(13)6(12)8(14)10(11)16/h2-3H,1H3,(H2,17,19,20).
What are the key properties of 6-N-methyl-2-N-(2,3,4,5,6-pentafluorophenyl)pyrazine-2,6-diamine?
6-N-methyl-2-N-(2,3,4,5,6-pentafluorophenyl)pyrazine-2,6-diamine has a molecular weight of 290.19 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-2-N-(2,3,4,5,6-pentafluorophenyl)pyrazine-2,6-diamine is sourced from PubChem (CID 115565279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).