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

C12H10ClF3N4 — CID 80833737

IUPAC2-N-[2-chloro-4-(trifluoromethyl)phenyl]-6-N-methylpyrazine-2,6-diamine
SMILESCNc1cncc(Nc2ccc(C(F)(F)F)cc2Cl)n1
InChIInChI=1S/C12H10ClF3N4/c1-17-10-5-18-6-11(20-10)19-9-3-2-7(4-8(9)13)12(14,15)16/h2-6H,1H3,(H2,17,19,20)
InChIKeyUINRHYNERYVEEX-UHFFFAOYSA-N
MW302.69 g/mol
LogP3.93
Rot. Bonds3

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

2-N-[2-chloro-4-(trifluoromethyl)phenyl]-6-N-methylpyrazine-2,6-diamine (PubChem CID 80833737) has the molecular formula C12H10ClF3N4 and a molecular weight of 302.69 g/mol. Its IUPAC name is 2-N-[2-chloro-4-(trifluoromethyl)phenyl]-6-N-methylpyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-[2-chloro-4-(trifluoromethyl)phenyl]-6-N-methylpyrazine-2,6-diamine
PubChem CID80833737
Molecular FormulaC12H10ClF3N4
Molecular Weight302.69 g/mol
Exact Mass302.05
IUPAC Name2-N-[2-chloro-4-(trifluoromethyl)phenyl]-6-N-methylpyrazine-2,6-diamine
SMILESCNc1cncc(Nc2ccc(C(F)(F)F)cc2Cl)n1
InChIInChI=1S/C12H10ClF3N4/c1-17-10-5-18-6-11(20-10)19-9-3-2-7(4-8(9)13)12(14,15)16/h2-6H,1H3,(H2,17,19,20)
InChIKeyUINRHYNERYVEEX-UHFFFAOYSA-N
XLogP3.93
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.69
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-[2-chloro-4-(trifluoromethyl)phenyl]-6-N-methylpyrazine-2,6-diamine?
The IUPAC name of 2-N-[2-chloro-4-(trifluoromethyl)phenyl]-6-N-methylpyrazine-2,6-diamine (CID 80833737) is 2-N-[2-chloro-4-(trifluoromethyl)phenyl]-6-N-methylpyrazine-2,6-diamine.
What is the SMILES notation for 2-N-[2-chloro-4-(trifluoromethyl)phenyl]-6-N-methylpyrazine-2,6-diamine?
The canonical SMILES for 2-N-[2-chloro-4-(trifluoromethyl)phenyl]-6-N-methylpyrazine-2,6-diamine is CNc1cncc(Nc2ccc(C(F)(F)F)cc2Cl)n1.
What is the InChIKey of 2-N-[2-chloro-4-(trifluoromethyl)phenyl]-6-N-methylpyrazine-2,6-diamine?
The InChIKey is UINRHYNERYVEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF3N4/c1-17-10-5-18-6-11(20-10)19-9-3-2-7(4-8(9)13)12(14,15)16/h2-6H,1H3,(H2,17,19,20).
What are the key properties of 2-N-[2-chloro-4-(trifluoromethyl)phenyl]-6-N-methylpyrazine-2,6-diamine?
2-N-[2-chloro-4-(trifluoromethyl)phenyl]-6-N-methylpyrazine-2,6-diamine has a molecular weight of 302.69 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-chloro-4-(trifluoromethyl)phenyl]-6-N-methylpyrazine-2,6-diamine is sourced from PubChem (CID 80833737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).