6-[4-chloro-3-(difluoromethoxy)phenyl]-N,3-dimethylpyrazin-2-amine

C13H12ClF2N3O — CID 175194003

IUPAC6-[4-chloro-3-(difluoromethoxy)phenyl]-N,3-dimethylpyrazin-2-amine
SMILESCNc1nc(-c2ccc(Cl)c(OC(F)F)c2)cnc1C
InChIInChI=1S/C13H12ClF2N3O/c1-7-12(17-2)19-10(6-18-7)8-3-4-9(14)11(5-8)20-13(15)16/h3-6,13H,1-2H3,(H,17,19)
InChIKeyUDRKEKZRJKIJLU-UHFFFAOYSA-N
MW299.71 g/mol
LogP3.75
Rot. Bonds4

About 6-[4-chloro-3-(difluoromethoxy)phenyl]-N,3-dimethylpyrazin-2-amine

6-[4-chloro-3-(difluoromethoxy)phenyl]-N,3-dimethylpyrazin-2-amine (PubChem CID 175194003) has the molecular formula C13H12ClF2N3O and a molecular weight of 299.71 g/mol. Its IUPAC name is 6-[4-chloro-3-(difluoromethoxy)phenyl]-N,3-dimethylpyrazin-2-amine.

Molecular Properties

Compound Name6-[4-chloro-3-(difluoromethoxy)phenyl]-N,3-dimethylpyrazin-2-amine
PubChem CID175194003
Molecular FormulaC13H12ClF2N3O
Molecular Weight299.71 g/mol
Exact Mass299.06
IUPAC Name6-[4-chloro-3-(difluoromethoxy)phenyl]-N,3-dimethylpyrazin-2-amine
SMILESCNc1nc(-c2ccc(Cl)c(OC(F)F)c2)cnc1C
InChIInChI=1S/C13H12ClF2N3O/c1-7-12(17-2)19-10(6-18-7)8-3-4-9(14)11(5-8)20-13(15)16/h3-6,13H,1-2H3,(H,17,19)
InChIKeyUDRKEKZRJKIJLU-UHFFFAOYSA-N
XLogP3.75
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.71
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-chloro-3-(difluoromethoxy)phenyl]-N,3-dimethylpyrazin-2-amine?
The IUPAC name of 6-[4-chloro-3-(difluoromethoxy)phenyl]-N,3-dimethylpyrazin-2-amine (CID 175194003) is 6-[4-chloro-3-(difluoromethoxy)phenyl]-N,3-dimethylpyrazin-2-amine.
What is the SMILES notation for 6-[4-chloro-3-(difluoromethoxy)phenyl]-N,3-dimethylpyrazin-2-amine?
The canonical SMILES for 6-[4-chloro-3-(difluoromethoxy)phenyl]-N,3-dimethylpyrazin-2-amine is CNc1nc(-c2ccc(Cl)c(OC(F)F)c2)cnc1C.
What is the InChIKey of 6-[4-chloro-3-(difluoromethoxy)phenyl]-N,3-dimethylpyrazin-2-amine?
The InChIKey is UDRKEKZRJKIJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF2N3O/c1-7-12(17-2)19-10(6-18-7)8-3-4-9(14)11(5-8)20-13(15)16/h3-6,13H,1-2H3,(H,17,19).
What are the key properties of 6-[4-chloro-3-(difluoromethoxy)phenyl]-N,3-dimethylpyrazin-2-amine?
6-[4-chloro-3-(difluoromethoxy)phenyl]-N,3-dimethylpyrazin-2-amine has a molecular weight of 299.71 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-chloro-3-(difluoromethoxy)phenyl]-N,3-dimethylpyrazin-2-amine is sourced from PubChem (CID 175194003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).