2-N-[4-bromo-3-(trifluoromethyl)phenyl]-6-N-methylpyrazine-2,6-diamine

C12H10BrF3N4 — CID 80840633

IUPAC2-N-[4-bromo-3-(trifluoromethyl)phenyl]-6-N-methylpyrazine-2,6-diamine
SMILESCNc1cncc(Nc2ccc(Br)c(C(F)(F)F)c2)n1
InChIInChI=1S/C12H10BrF3N4/c1-17-10-5-18-6-11(20-10)19-7-2-3-9(13)8(4-7)12(14,15)16/h2-6H,1H3,(H2,17,19,20)
InChIKeyDRNUQJVLUFOLGA-UHFFFAOYSA-N
MW347.14 g/mol
LogP4.04
Rot. Bonds3

About 2-N-[4-bromo-3-(trifluoromethyl)phenyl]-6-N-methylpyrazine-2,6-diamine

2-N-[4-bromo-3-(trifluoromethyl)phenyl]-6-N-methylpyrazine-2,6-diamine (PubChem CID 80840633) has the molecular formula C12H10BrF3N4 and a molecular weight of 347.14 g/mol. Its IUPAC name is 2-N-[4-bromo-3-(trifluoromethyl)phenyl]-6-N-methylpyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-[4-bromo-3-(trifluoromethyl)phenyl]-6-N-methylpyrazine-2,6-diamine
PubChem CID80840633
Molecular FormulaC12H10BrF3N4
Molecular Weight347.14 g/mol
Exact Mass346.00
IUPAC Name2-N-[4-bromo-3-(trifluoromethyl)phenyl]-6-N-methylpyrazine-2,6-diamine
SMILESCNc1cncc(Nc2ccc(Br)c(C(F)(F)F)c2)n1
InChIInChI=1S/C12H10BrF3N4/c1-17-10-5-18-6-11(20-10)19-7-2-3-9(13)8(4-7)12(14,15)16/h2-6H,1H3,(H2,17,19,20)
InChIKeyDRNUQJVLUFOLGA-UHFFFAOYSA-N
XLogP4.04
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.14
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-bromo-3-(trifluoromethyl)phenyl]-6-hydrazinylpyrazin-2-amine
CID 80915262
5-N-[4-bromo-3-(trifluoromethyl)phenyl]-3-N-methylpyridine-3,5-diamine
CID 104534939
4-N-[4-bromo-3-(trifluoromethyl)phenyl]-6-N-methylpyrimidine-4,6-diamine
CID 80842036
6-hydrazinyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 80903825
6-N-methyl-2-N-(3-methylphenyl)pyrazine-2,6-diamine
CID 80755462
2-N-methyl-6-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridine-2,6-diamine
CID 80812662
4-N-[4-bromo-3-(trifluoromethyl)phenyl]-6-hydrazinylpyrimidine-2,4-diamine
CID 80909095
6-N-(4-bromo-3-chlorophenyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 107617824
2-N-(4-bromo-3-fluorophenyl)-6-N-ethylpyrazine-2,6-diamine
CID 80843376
4-N-[4-bromo-3-(trifluoromethyl)phenyl]-5-methylpyrimidine-2,4-diamine
CID 80840874
2-N-(4-chlorophenyl)-6-N-methylpyrazine-2,6-diamine
CID 80760465
4-bromo-N-(3-fluoropropyl)-3-(trifluoromethyl)aniline
CID 81106703

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-bromo-3-(trifluoromethyl)phenyl]-6-N-methylpyrazine-2,6-diamine?
The IUPAC name of 2-N-[4-bromo-3-(trifluoromethyl)phenyl]-6-N-methylpyrazine-2,6-diamine (CID 80840633) is 2-N-[4-bromo-3-(trifluoromethyl)phenyl]-6-N-methylpyrazine-2,6-diamine.
What is the SMILES notation for 2-N-[4-bromo-3-(trifluoromethyl)phenyl]-6-N-methylpyrazine-2,6-diamine?
The canonical SMILES for 2-N-[4-bromo-3-(trifluoromethyl)phenyl]-6-N-methylpyrazine-2,6-diamine is CNc1cncc(Nc2ccc(Br)c(C(F)(F)F)c2)n1.
What is the InChIKey of 2-N-[4-bromo-3-(trifluoromethyl)phenyl]-6-N-methylpyrazine-2,6-diamine?
The InChIKey is DRNUQJVLUFOLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrF3N4/c1-17-10-5-18-6-11(20-10)19-7-2-3-9(13)8(4-7)12(14,15)16/h2-6H,1H3,(H2,17,19,20).
What are the key properties of 2-N-[4-bromo-3-(trifluoromethyl)phenyl]-6-N-methylpyrazine-2,6-diamine?
2-N-[4-bromo-3-(trifluoromethyl)phenyl]-6-N-methylpyrazine-2,6-diamine has a molecular weight of 347.14 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-bromo-3-(trifluoromethyl)phenyl]-6-N-methylpyrazine-2,6-diamine is sourced from PubChem (CID 80840633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).