2-[(6-aminopyrimidin-4-yl)amino]-6-fluorobenzonitrile

C11H8FN5 — CID 80793758

IUPAC2-[(6-aminopyrimidin-4-yl)amino]-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1Nc1cc(N)ncn1
InChIInChI=1S/C11H8FN5/c12-8-2-1-3-9(7(8)5-13)17-11-4-10(14)15-6-16-11/h1-4,6H,(H3,14,15,16,17)
InChIKeySUXFISQXFZMXTL-UHFFFAOYSA-N
MW229.22 g/mol
LogP1.81
Rot. Bonds2

About 2-[(6-aminopyrimidin-4-yl)amino]-6-fluorobenzonitrile

2-[(6-aminopyrimidin-4-yl)amino]-6-fluorobenzonitrile (PubChem CID 80793758) has the molecular formula C11H8FN5 and a molecular weight of 229.22 g/mol. Its IUPAC name is 2-[(6-aminopyrimidin-4-yl)amino]-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-[(6-aminopyrimidin-4-yl)amino]-6-fluorobenzonitrile
PubChem CID80793758
Molecular FormulaC11H8FN5
Molecular Weight229.22 g/mol
Exact Mass229.08
IUPAC Name2-[(6-aminopyrimidin-4-yl)amino]-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1Nc1cc(N)ncn1
InChIInChI=1S/C11H8FN5/c12-8-2-1-3-9(7(8)5-13)17-11-4-10(14)15-6-16-11/h1-4,6H,(H3,14,15,16,17)
InChIKeySUXFISQXFZMXTL-UHFFFAOYSA-N
XLogP1.81
TPSA87.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.22
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-6-[(6-hydrazinylpyrimidin-4-yl)amino]benzonitrile
CID 80907497
4-N-(2-fluorophenyl)pyrimidine-4,6-diamine
CID 80760577
2-[(6-aminoquinolin-2-yl)amino]-6-fluorobenzonitrile
CID 43580481
2-(4-aminoanilino)-6-fluorobenzonitrile
CID 43580495
2-fluoro-6-[[6-(methylamino)-2-pyridinyl]amino]benzonitrile
CID 80792103
2-fluoro-6-[(6-hydrazinylpyrazin-2-yl)amino]benzonitrile
CID 80906139
2-[(6-aminopyrimidin-4-yl)amino]-4-chlorobenzonitrile
CID 80841289
2-(2-cyanoanilino)-6-fluorobenzonitrile
CID 43580771
2-(3-bromo-2-cyanoanilino)-6-fluorobenzonitrile
CID 114880644
2-[(2-amino-7H-purin-6-yl)amino]-6-fluorobenzonitrile
CID 114783970
2-(4-bromo-2,6-difluoroanilino)-6-fluorobenzonitrile
CID 79513028
4-N-(2-fluoro-5-methylphenyl)pyrimidine-4,6-diamine
CID 80755229

Frequently Asked Questions

What is the IUPAC name of 2-[(6-aminopyrimidin-4-yl)amino]-6-fluorobenzonitrile?
The IUPAC name of 2-[(6-aminopyrimidin-4-yl)amino]-6-fluorobenzonitrile (CID 80793758) is 2-[(6-aminopyrimidin-4-yl)amino]-6-fluorobenzonitrile.
What is the SMILES notation for 2-[(6-aminopyrimidin-4-yl)amino]-6-fluorobenzonitrile?
The canonical SMILES for 2-[(6-aminopyrimidin-4-yl)amino]-6-fluorobenzonitrile is N#Cc1c(F)cccc1Nc1cc(N)ncn1.
What is the InChIKey of 2-[(6-aminopyrimidin-4-yl)amino]-6-fluorobenzonitrile?
The InChIKey is SUXFISQXFZMXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN5/c12-8-2-1-3-9(7(8)5-13)17-11-4-10(14)15-6-16-11/h1-4,6H,(H3,14,15,16,17).
What are the key properties of 2-[(6-aminopyrimidin-4-yl)amino]-6-fluorobenzonitrile?
2-[(6-aminopyrimidin-4-yl)amino]-6-fluorobenzonitrile has a molecular weight of 229.22 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-aminopyrimidin-4-yl)amino]-6-fluorobenzonitrile is sourced from PubChem (CID 80793758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).