6-[3-(difluoromethyl)-4-fluorophenyl]-N,3-dimethylpyrazin-2-amine

C13H12F3N3 — CID 175197348

IUPAC6-[3-(difluoromethyl)-4-fluorophenyl]-N,3-dimethylpyrazin-2-amine
SMILESCNc1nc(-c2ccc(F)c(C(F)F)c2)cnc1C
InChIInChI=1S/C13H12F3N3/c1-7-13(17-2)19-11(6-18-7)8-3-4-10(14)9(5-8)12(15)16/h3-6,12H,1-2H3,(H,17,19)
InChIKeyYHLMHPUBIMDZEG-UHFFFAOYSA-N
MW267.25 g/mol
LogP3.57
Rot. Bonds3

About 6-[3-(difluoromethyl)-4-fluorophenyl]-N,3-dimethylpyrazin-2-amine

6-[3-(difluoromethyl)-4-fluorophenyl]-N,3-dimethylpyrazin-2-amine (PubChem CID 175197348) has the molecular formula C13H12F3N3 and a molecular weight of 267.25 g/mol. Its IUPAC name is 6-[3-(difluoromethyl)-4-fluorophenyl]-N,3-dimethylpyrazin-2-amine.

Molecular Properties

Compound Name6-[3-(difluoromethyl)-4-fluorophenyl]-N,3-dimethylpyrazin-2-amine
PubChem CID175197348
Molecular FormulaC13H12F3N3
Molecular Weight267.25 g/mol
Exact Mass267.10
IUPAC Name6-[3-(difluoromethyl)-4-fluorophenyl]-N,3-dimethylpyrazin-2-amine
SMILESCNc1nc(-c2ccc(F)c(C(F)F)c2)cnc1C
InChIInChI=1S/C13H12F3N3/c1-7-13(17-2)19-11(6-18-7)8-3-4-10(14)9(5-8)12(15)16/h3-6,12H,1-2H3,(H,17,19)
InChIKeyYHLMHPUBIMDZEG-UHFFFAOYSA-N
XLogP3.57
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[6-[3-(difluoromethyl)-4-fluorophenyl]-3-methylpyrazin-2-yl]methyl-methylamino]ethyl formate
CID 155396896
5-[3-(difluoromethyl)-4-fluorophenyl]-2-methylpyridine
CID 175730479
6-(4-fluoro-3-methylphenyl)-2-(methylamino)pyridine-3-carbonitrile
CID 82117516
2-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[3,4-b]pyrazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
CID 155387043
3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[3,4-b]pyrazin-1-yl]methyl]-4-methyl-1,2-oxazole
CID 170984082
6-[4-chloro-3-(difluoromethyl)phenyl]-1H-pyrazolo[3,4-b]pyrazine
CID 175200785
3-(3-chloro-4-fluorophenyl)-N,5,6-trimethylpyrazin-2-amine
CID 113324801
2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[3,4-b]pyrazin-1-yl]-1-(3-fluoroazetidin-1-yl)ethanone
CID 155387060
5-[3-(difluoromethyl)-4-fluorophenyl]pyridine-3-carboxylic acid
CID 175730512
2-(3,4-difluorophenyl)-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66304716
5-(3,4-difluorophenyl)-3-methoxypyrazin-2-amine
CID 178183762
5-(difluoromethyl)-3-fluoro-2,4-dimethylpyridine
CID 130101103

Frequently Asked Questions

What is the IUPAC name of 6-[3-(difluoromethyl)-4-fluorophenyl]-N,3-dimethylpyrazin-2-amine?
The IUPAC name of 6-[3-(difluoromethyl)-4-fluorophenyl]-N,3-dimethylpyrazin-2-amine (CID 175197348) is 6-[3-(difluoromethyl)-4-fluorophenyl]-N,3-dimethylpyrazin-2-amine.
What is the SMILES notation for 6-[3-(difluoromethyl)-4-fluorophenyl]-N,3-dimethylpyrazin-2-amine?
The canonical SMILES for 6-[3-(difluoromethyl)-4-fluorophenyl]-N,3-dimethylpyrazin-2-amine is CNc1nc(-c2ccc(F)c(C(F)F)c2)cnc1C.
What is the InChIKey of 6-[3-(difluoromethyl)-4-fluorophenyl]-N,3-dimethylpyrazin-2-amine?
The InChIKey is YHLMHPUBIMDZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3/c1-7-13(17-2)19-11(6-18-7)8-3-4-10(14)9(5-8)12(15)16/h3-6,12H,1-2H3,(H,17,19).
What are the key properties of 6-[3-(difluoromethyl)-4-fluorophenyl]-N,3-dimethylpyrazin-2-amine?
6-[3-(difluoromethyl)-4-fluorophenyl]-N,3-dimethylpyrazin-2-amine has a molecular weight of 267.25 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(difluoromethyl)-4-fluorophenyl]-N,3-dimethylpyrazin-2-amine is sourced from PubChem (CID 175197348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).