5-[2-(3-amino-2,6-difluorophenyl)ethynyl]-1,3-dimethyl-2H-pyrazin-2-amine

C14H14F2N4 — CID 138718894

IUPAC5-[2-(3-amino-2,6-difluorophenyl)ethynyl]-1,3-dimethyl-2H-pyrazin-2-amine
SMILESCC1=NC(C#Cc2c(F)ccc(N)c2F)=CN(C)C1N
InChIInChI=1S/C14H14F2N4/c1-8-14(18)20(2)7-9(19-8)3-4-10-11(15)5-6-12(17)13(10)16/h5-7,14H,17-18H2,1-2H3
InChIKeyOFJNRKWXPMSXLL-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.43
Rot. Bonds

About 5-[2-(3-amino-2,6-difluorophenyl)ethynyl]-1,3-dimethyl-2H-pyrazin-2-amine

5-[2-(3-amino-2,6-difluorophenyl)ethynyl]-1,3-dimethyl-2H-pyrazin-2-amine (PubChem CID 138718894) has the molecular formula C14H14F2N4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 5-[2-(3-amino-2,6-difluorophenyl)ethynyl]-1,3-dimethyl-2H-pyrazin-2-amine.

Molecular Properties

Compound Name5-[2-(3-amino-2,6-difluorophenyl)ethynyl]-1,3-dimethyl-2H-pyrazin-2-amine
PubChem CID138718894
Molecular FormulaC14H14F2N4
Molecular Weight276.29 g/mol
Exact Mass276.12
IUPAC Name5-[2-(3-amino-2,6-difluorophenyl)ethynyl]-1,3-dimethyl-2H-pyrazin-2-amine
SMILESCC1=NC(C#Cc2c(F)ccc(N)c2F)=CN(C)C1N
InChIInChI=1S/C14H14F2N4/c1-8-14(18)20(2)7-9(19-8)3-4-10-11(15)5-6-12(17)13(10)16/h5-7,14H,17-18H2,1-2H3
InChIKeyOFJNRKWXPMSXLL-UHFFFAOYSA-N
XLogP1.43
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-[2-(3-amino-2,6-difluorophenyl)ethynyl]-1,2-dihydropyrimidin-2-amine
CID 138718892
N-[5-[2-(3-amino-2,6-difluorophenyl)ethynyl]-2-pyridinyl]acetamide
CID 134260585
3-[2-(1-ethylpyrazolo[4,5-b]pyridin-6-yl)ethynyl]-2,4-difluoroaniline
CID 171465908
3-[(E)-3-ethyl-4-(methylamino)pent-3-en-1-ynyl]-2,4-difluoroaniline
CID 138718942
3-amino-2-fluoro-6-methylbenzonitrile
CID 83410294
2,4-difluoro-3-(1-propylpyrazol-4-yl)aniline
CID 171921636
3,4-difluoro-2-methylaniline;ethane
CID 143670035
4-fluoro-1-methylindazol-5-amine
CID 84652063
2,3-difluoro-4-methylaniline;ethane
CID 145013768
2,4-difluoro-3-(2-methylquinazolin-6-yl)aniline
CID 156832887
4-fluoro-3-methylbenzene-1,2-diamine
CID 22055547
2,4-difluoro-3-(1,3-oxazol-2-yl)aniline
CID 79773703

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-amino-2,6-difluorophenyl)ethynyl]-1,3-dimethyl-2H-pyrazin-2-amine?
The IUPAC name of 5-[2-(3-amino-2,6-difluorophenyl)ethynyl]-1,3-dimethyl-2H-pyrazin-2-amine (CID 138718894) is 5-[2-(3-amino-2,6-difluorophenyl)ethynyl]-1,3-dimethyl-2H-pyrazin-2-amine.
What is the SMILES notation for 5-[2-(3-amino-2,6-difluorophenyl)ethynyl]-1,3-dimethyl-2H-pyrazin-2-amine?
The canonical SMILES for 5-[2-(3-amino-2,6-difluorophenyl)ethynyl]-1,3-dimethyl-2H-pyrazin-2-amine is CC1=NC(C#Cc2c(F)ccc(N)c2F)=CN(C)C1N.
What is the InChIKey of 5-[2-(3-amino-2,6-difluorophenyl)ethynyl]-1,3-dimethyl-2H-pyrazin-2-amine?
The InChIKey is OFJNRKWXPMSXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N4/c1-8-14(18)20(2)7-9(19-8)3-4-10-11(15)5-6-12(17)13(10)16/h5-7,14H,17-18H2,1-2H3.
What are the key properties of 5-[2-(3-amino-2,6-difluorophenyl)ethynyl]-1,3-dimethyl-2H-pyrazin-2-amine?
5-[2-(3-amino-2,6-difluorophenyl)ethynyl]-1,3-dimethyl-2H-pyrazin-2-amine has a molecular weight of 276.29 g/mol, XLogP of 1.43, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-amino-2,6-difluorophenyl)ethynyl]-1,3-dimethyl-2H-pyrazin-2-amine is sourced from PubChem (CID 138718894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).